Index

_

__init__() (baybe.acquisition.acqfs.ExpectedImprovement method) (baybe.acquisition.acqfs.LogExpectedImprovement method) (baybe.acquisition.acqfs.PosteriorMean method) (baybe.acquisition.acqfs.PosteriorStandardDeviation method) (baybe.acquisition.acqfs.ProbabilityOfImprovement method) (baybe.acquisition.acqfs.qExpectedImprovement method) (baybe.acquisition.acqfs.qKnowledgeGradient method) (baybe.acquisition.acqfs.qLogExpectedImprovement method) (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance method) (baybe.acquisition.acqfs.qNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qProbabilityOfImprovement method) (baybe.acquisition.acqfs.qSimpleRegret method) (baybe.acquisition.acqfs.qThompsonSampling method) (baybe.acquisition.acqfs.qUpperConfidenceBound method) (baybe.acquisition.acqfs.UpperConfidenceBound method) (baybe.acquisition.base.AcquisitionFunction method) (baybe.acquisition.partial.PartialAcquisitionFunction method) (baybe.campaign.Campaign method) (baybe.constraints.base.CardinalityConstraint method) (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.ContinuousLinearConstraint method) (baybe.constraints.base.ContinuousNonlinearConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) (baybe.constraints.continuous.ContinuousCardinalityConstraint method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint method) (baybe.constraints.discrete.DiscreteCardinalityConstraint method) (baybe.constraints.discrete.DiscreteCustomConstraint method) (baybe.constraints.discrete.DiscreteDependenciesConstraint method) (baybe.constraints.discrete.DiscreteExcludeConstraint method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint method) (baybe.constraints.discrete.DiscreteProductConstraint method) (baybe.constraints.discrete.DiscreteSumConstraint method) (baybe.exceptions.DeprecationError method) (baybe.exceptions.EmptySearchSpaceError method) (baybe.exceptions.IncompatibilityError method) (baybe.exceptions.IncompatibleAcquisitionFunctionError method) (baybe.exceptions.IncompatibleSearchSpaceError method) (baybe.exceptions.InvalidSurrogateModelError method) (baybe.exceptions.InvalidTargetValueError method) (baybe.exceptions.ModelNotTrainedError method) (baybe.exceptions.NoMCAcquisitionFunctionError method) (baybe.exceptions.NoRecommendersLeftError method) (baybe.exceptions.NotEnoughPointsLeftError method) (baybe.exceptions.NothingToSimulateError method) (baybe.exceptions.NumericalUnderflowError method) (baybe.exceptions.OptionalImportError method) (baybe.exceptions.UnidentifiedSubclassError method) (baybe.exceptions.UnmatchedAttributeError method) (baybe.exceptions.UnusedObjectWarning method) (baybe.kernels.base.BasicKernel method) (baybe.kernels.base.CompositeKernel method) (baybe.kernels.base.Kernel method) (baybe.kernels.basic.LinearKernel method) (baybe.kernels.basic.MaternKernel method) (baybe.kernels.basic.PeriodicKernel method) (baybe.kernels.basic.PiecewisePolynomialKernel method) (baybe.kernels.basic.PolynomialKernel method) (baybe.kernels.basic.RBFKernel method) (baybe.kernels.basic.RFFKernel method) (baybe.kernels.basic.RQKernel method) (baybe.kernels.composite.AdditiveKernel method) (baybe.kernels.composite.ProductKernel method) (baybe.kernels.composite.ScaleKernel method) (baybe.objectives.base.Objective method) (baybe.objectives.desirability.DesirabilityObjective method) (baybe.objectives.single.SingleTargetObjective method) (baybe.parameters.base.ContinuousParameter method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.base.Parameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalContinuousParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) (baybe.priors.base.Prior method) (baybe.priors.basic.BetaPrior method) (baybe.priors.basic.GammaPrior method) (baybe.priors.basic.HalfCauchyPrior method) (baybe.priors.basic.HalfNormalPrior method) (baybe.priors.basic.LogNormalPrior method) (baybe.priors.basic.NormalPrior method) (baybe.priors.basic.SmoothedBoxPrior method) (baybe.recommenders.base.RecommenderProtocol method) (baybe.recommenders.meta.base.MetaRecommender method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender method) (baybe.recommenders.naive.NaiveHybridSpaceRecommender method) (baybe.recommenders.pure.base.PureRecommender method) (baybe.recommenders.pure.bayesian.base.BayesianRecommender method) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender method) (baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.sampling.FPSRecommender method) (baybe.recommenders.pure.nonpredictive.sampling.RandomRecommender method) (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.core.SearchSpace method) (baybe.searchspace.discrete.MemorySize method) (baybe.searchspace.discrete.SubspaceDiscrete method) (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) (baybe.surrogates.base.IndependentGaussianSurrogate method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.base.SurrogateProtocol method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate method) (baybe.surrogates.gaussian_process.kernel_factory.KernelFactory method) (baybe.surrogates.gaussian_process.kernel_factory.PlainKernelFactory method) (baybe.surrogates.gaussian_process.presets.default.DefaultKernelFactory method) (baybe.surrogates.gaussian_process.presets.edbo.EDBOKernelFactory method) (baybe.surrogates.linear.BayesianLinearSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.surrogates.ngboost.NGBoostSurrogate method) (baybe.surrogates.random_forest.RandomForestSurrogate method) (baybe.targets.base.Target method) (baybe.targets.binary.BinaryTarget method) (baybe.targets.numerical.NumericalTarget method) (baybe.utils.basic.classproperty method) (baybe.utils.basic.Dummy method) (baybe.utils.interval.InfiniteIntervalError method) (baybe.utils.interval.Interval method) (baybe.utils.scaling.ColumnTransformer method)

__new__() (baybe.exceptions.DeprecationError method) (baybe.exceptions.EmptySearchSpaceError method) (baybe.exceptions.IncompatibilityError method) (baybe.exceptions.IncompatibleAcquisitionFunctionError method) (baybe.exceptions.IncompatibleSearchSpaceError method) (baybe.exceptions.InvalidSurrogateModelError method) (baybe.exceptions.InvalidTargetValueError method) (baybe.exceptions.ModelNotTrainedError method) (baybe.exceptions.NoMCAcquisitionFunctionError method) (baybe.exceptions.NoRecommendersLeftError method) (baybe.exceptions.NotEnoughPointsLeftError method) (baybe.exceptions.NothingToSimulateError method) (baybe.exceptions.NumericalUnderflowError method) (baybe.exceptions.OptionalImportError method) (baybe.exceptions.UnidentifiedSubclassError method) (baybe.exceptions.UnmatchedAttributeError method) (baybe.exceptions.UnusedObjectWarning method) (baybe.parameters.enum.CategoricalEncoding method) (baybe.parameters.enum.CustomEncoding method) (baybe.parameters.enum.SubstanceEncoding method) (baybe.utils.interval.InfiniteIntervalError method)

A

a (baybe.priors.basic.SmoothedBoxPrior attribute) abbreviation (baybe.acquisition.acqfs.ExpectedImprovement attribute) (baybe.acquisition.acqfs.LogExpectedImprovement attribute) (baybe.acquisition.acqfs.PosteriorMean attribute) (baybe.acquisition.acqfs.PosteriorStandardDeviation attribute) (baybe.acquisition.acqfs.ProbabilityOfImprovement attribute) (baybe.acquisition.acqfs.qExpectedImprovement attribute) (baybe.acquisition.acqfs.qKnowledgeGradient attribute) (baybe.acquisition.acqfs.qLogExpectedImprovement attribute) (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement attribute) (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance attribute) (baybe.acquisition.acqfs.qNoisyExpectedImprovement attribute) (baybe.acquisition.acqfs.qProbabilityOfImprovement attribute) (baybe.acquisition.acqfs.qSimpleRegret attribute) (baybe.acquisition.acqfs.qThompsonSampling attribute) (baybe.acquisition.acqfs.qUpperConfidenceBound attribute) (baybe.acquisition.acqfs.UpperConfidenceBound attribute) (baybe.acquisition.base.AcquisitionFunction attribute) acquisition_function (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) acquisition_function_cls (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) AcquisitionFunction (class in baybe.acquisition.base) active_values (baybe.parameters.categorical.TaskParameter attribute) add_fake_results() (in module baybe.utils.dataframe) add_measurements() (baybe.campaign.Campaign method) add_parameter_noise() (in module baybe.utils.dataframe) AdditiveKernel (class in baybe.kernels.composite) affected_parameters (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) allow_recommending_already_measured (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) (baybe.recommenders.pure.base.PureRecommender attribute) (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) (baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.FPSRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.RandomRecommender attribute)

allow_recommending_pending_experiments (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) (baybe.recommenders.pure.base.PureRecommender attribute) (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) (baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.FPSRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.RandomRecommender attribute) allow_repeated_recommendations (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) (baybe.recommenders.pure.base.PureRecommender attribute) (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) (baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.FPSRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.RandomRecommender attribute) alpha (baybe.priors.basic.BetaPrior attribute)

B

b (baybe.priors.basic.SmoothedBoxPrior attribute) base_kernel (baybe.kernels.composite.ScaleKernel attribute) base_kernels (baybe.kernels.composite.AdditiveKernel attribute) (baybe.kernels.composite.ProductKernel attribute) BasicKernel (class in baybe.kernels.base) batchify_ensemble_predictor() (in module baybe.surrogates.utils) batchify_mean_var_prediction() (in module baybe.surrogates.utils) baybe module BAYBE (baybe.surrogates.gaussian_process.presets.core.GaussianProcessPreset attribute) baybe.acquisition module baybe.acquisition.acqfs module baybe.acquisition.base module baybe.acquisition.partial module baybe.acquisition.utils module baybe.campaign module baybe.constraints module baybe.constraints.base module baybe.constraints.conditions module baybe.constraints.continuous module baybe.constraints.discrete module baybe.constraints.validation module baybe.exceptions module baybe.kernels module baybe.kernels.base module baybe.kernels.basic module baybe.kernels.composite module baybe.objective module baybe.objectives module baybe.objectives.base module baybe.objectives.deprecation module baybe.objectives.desirability module baybe.objectives.enum module baybe.objectives.single module baybe.parameters module baybe.parameters.base module baybe.parameters.categorical module baybe.parameters.custom module baybe.parameters.enum module baybe.parameters.numerical module baybe.parameters.substance module baybe.parameters.utils module baybe.parameters.validation module baybe.priors module baybe.priors.base module baybe.priors.basic module baybe.recommenders module baybe.recommenders.base module baybe.recommenders.meta module baybe.recommenders.meta.base module baybe.recommenders.meta.sequential module baybe.recommenders.naive module baybe.recommenders.pure module baybe.recommenders.pure.base module baybe.recommenders.pure.bayesian module baybe.recommenders.pure.bayesian.base module baybe.recommenders.pure.bayesian.botorch module baybe.recommenders.pure.bayesian.sequential_greedy module baybe.recommenders.pure.nonpredictive module baybe.recommenders.pure.nonpredictive.base module baybe.recommenders.pure.nonpredictive.clustering module baybe.recommenders.pure.nonpredictive.sampling module baybe.searchspace module baybe.searchspace.continuous module baybe.searchspace.core module baybe.searchspace.discrete module

baybe.searchspace.validation module baybe.serialization module baybe.serialization.core module baybe.serialization.mixin module baybe.serialization.utils module baybe.simulation module baybe.simulation.core module baybe.simulation.lookup module baybe.simulation.scenarios module baybe.simulation.transfer_learning module baybe.surrogates module baybe.surrogates.bandit module baybe.surrogates.base module baybe.surrogates.custom module baybe.surrogates.gaussian_process module baybe.surrogates.gaussian_process.core module baybe.surrogates.gaussian_process.kernel_factory module baybe.surrogates.gaussian_process.presets module baybe.surrogates.gaussian_process.presets.core module baybe.surrogates.gaussian_process.presets.default module baybe.surrogates.gaussian_process.presets.edbo module baybe.surrogates.linear module baybe.surrogates.naive module baybe.surrogates.ngboost module baybe.surrogates.random_forest module baybe.surrogates.utils module baybe.surrogates.validation module baybe.targets module baybe.targets.base module baybe.targets.binary module baybe.targets.enum module baybe.targets.numerical module baybe.targets.transforms module baybe.telemetry module baybe.utils module baybe.utils.augmentation module baybe.utils.basic module baybe.utils.boolean module baybe.utils.botorch_wrapper module baybe.utils.chemistry module baybe.utils.conversion module baybe.utils.dataframe module baybe.utils.interval module baybe.utils.memory module baybe.utils.numerical module baybe.utils.plotting module baybe.utils.random module baybe.utils.sampling_algorithms module baybe.utils.scaling module baybe.utils.torch module baybe.utils.validation module BayesianLinearSurrogate (class in baybe.surrogates.linear) BayesianRecommender (class in baybe.recommenders.pure.bayesian.base) BELL (baybe.targets.enum.TargetTransformation attribute) bell_transform() (in module baybe.targets.transforms) beta (baybe.acquisition.acqfs.qUpperConfidenceBound attribute) (baybe.acquisition.acqfs.UpperConfidenceBound attribute) (baybe.priors.basic.BetaPrior attribute) BetaBernoulliMultiArmedBanditSurrogate (class in baybe.surrogates.bandit) BetaPrior (class in baybe.priors.basic) BinaryTarget (class in baybe.targets.binary) block_deserialization_hook() (in module baybe.serialization.core) block_serialization_hook() (in module baybe.serialization.core) botorch_acqf (baybe.acquisition.partial.PartialAcquisitionFunction attribute) botorch_function_wrapper() (in module baybe.utils.botorch_wrapper) BotorchRecommender (class in baybe.recommenders.pure.bayesian.botorch) bounds (baybe.parameters.numerical.NumericalContinuousParameter attribute) (baybe.targets.numerical.NumericalTarget attribute) bytes_to_human_readable() (in module baybe.utils.memory)

C

Campaign (class in baybe.campaign) CardinalityConstraint (class in baybe.constraints.base) catch_constant_targets() (in module baybe.surrogates.utils) CategoricalEncoding (class in baybe.parameters.enum) CategoricalParameter (class in baybe.parameters.categorical) center (baybe.utils.interval.Interval property) check_if_in() (in module baybe.utils.boolean) ChoiceValue (in module baybe.targets.binary) classproperty (class in baybe.utils.basic) closer_element() (in module baybe.utils.numerical) closest_element() (in module baybe.utils.numerical) coefficients (baybe.constraints.base.ContinuousLinearConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) ColumnTransformer (class in baybe.utils.scaling) combiner (baybe.constraints.discrete.DiscreteExcludeConstraint attribute) comp_df (baybe.parameters.base.DiscreteParameter property) (baybe.parameters.categorical.CategoricalParameter property) (baybe.parameters.categorical.TaskParameter property) (baybe.parameters.custom.CustomDiscreteParameter property) (baybe.parameters.numerical.NumericalDiscreteParameter property) (baybe.parameters.substance.SubstanceParameter property) comp_rep (baybe.searchspace.discrete.SubspaceDiscrete attribute) comp_rep_bounds (baybe.searchspace.continuous.SubspaceContinuous property) (baybe.searchspace.core.SearchSpace property) (baybe.searchspace.discrete.SubspaceDiscrete property) comp_rep_bytes (baybe.searchspace.discrete.MemorySize attribute) comp_rep_columns (baybe.parameters.base.ContinuousParameter property) (baybe.parameters.base.DiscreteParameter property) (baybe.parameters.base.Parameter property) (baybe.parameters.categorical.CategoricalParameter property) (baybe.parameters.categorical.TaskParameter property) (baybe.parameters.custom.CustomDiscreteParameter property) (baybe.parameters.numerical.NumericalContinuousParameter property) (baybe.parameters.numerical.NumericalDiscreteParameter property) (baybe.parameters.substance.SubstanceParameter property) (baybe.searchspace.continuous.SubspaceContinuous property) (baybe.searchspace.core.SearchSpace property) (baybe.searchspace.discrete.SubspaceDiscrete property) comp_rep_human_readable (baybe.searchspace.discrete.MemorySize property) comp_rep_shape (baybe.searchspace.discrete.MemorySize attribute) compatibility (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) (baybe.recommenders.pure.base.PureRecommender attribute) (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) (baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.FPSRecommender attribute) (baybe.recommenders.pure.nonpredictive.sampling.RandomRecommender attribute)

CompositeKernel (class in baybe.kernels.base) concentration (baybe.priors.basic.GammaPrior attribute) condition (baybe.constraints.discrete.DiscreteProductConstraint attribute) (baybe.constraints.discrete.DiscreteSumConstraint attribute) Condition (class in baybe.constraints.conditions) conditions (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) (baybe.constraints.discrete.DiscreteExcludeConstraint attribute) Constraint (class in baybe.constraints.base) constraints (baybe.searchspace.core.SearchSpace property) (baybe.searchspace.discrete.SubspaceDiscrete attribute) constraints_augmentable (baybe.searchspace.core.SearchSpace property) constraints_cardinality (baybe.searchspace.continuous.SubspaceContinuous property) constraints_lin_eq (baybe.searchspace.continuous.SubspaceContinuous attribute) constraints_lin_ineq (baybe.searchspace.continuous.SubspaceContinuous attribute) constraints_nonlin (baybe.searchspace.continuous.SubspaceContinuous attribute) cont_recommender (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) contains() (baybe.utils.interval.Interval method) contains_mordred (baybe.searchspace.core.SearchSpace property) contains_rdkit (baybe.searchspace.core.SearchSpace property) continuous (baybe.searchspace.core.SearchSpace attribute) CONTINUOUS (baybe.searchspace.core.SearchSpaceType attribute) ContinuousCardinalityConstraint (class in baybe.constraints.continuous) ContinuousConstraint (class in baybe.constraints.base) ContinuousLinearConstraint (class in baybe.constraints.base) ContinuousLinearEqualityConstraint (class in baybe.constraints.continuous) ContinuousLinearInequalityConstraint (class in baybe.constraints.continuous) ContinuousNonlinearConstraint (class in baybe.constraints.base) ContinuousParameter (class in baybe.parameters.base) convert_acqf() (in module baybe.acquisition.utils) convert_bounds() (in module baybe.utils.interval) converter (in module baybe.serialization.core) create() (baybe.utils.interval.Interval class method) create_example_plots() (in module baybe.utils.plotting) CUSTOM (baybe.parameters.enum.CustomEncoding attribute) CustomDiscreteParameter (class in baybe.parameters.custom) CustomEncoding (class in baybe.parameters.enum) CustomONNXSurrogate (class in baybe.surrogates.custom)

D

data (baybe.parameters.custom.CustomDiscreteParameter attribute) (baybe.parameters.substance.SubstanceParameter attribute) decorrelate (baybe.parameters.custom.CustomDiscreteParameter attribute) (baybe.parameters.substance.SubstanceParameter attribute) default_iterator() (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) default_model() (baybe.surrogates.custom.CustomONNXSurrogate method) DefaultKernelFactory (class in baybe.surrogates.gaussian_process.presets.default) dependencies (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint attribute) DeprecationError deserialize_dataframe() (in module baybe.serialization.utils) DesirabilityObjective (class in baybe.objectives.desirability) df_apply_dependency_augmentation() (in module baybe.utils.augmentation) df_apply_permutation_augmentation() (in module baybe.utils.augmentation) df_drop_single_value_columns() (in module baybe.utils.dataframe) df_drop_string_columns() (in module baybe.utils.dataframe) df_uncorrelated_features() (in module baybe.utils.dataframe) disc_recommender (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute)

discrete (baybe.searchspace.core.SearchSpace attribute) DISCRETE (baybe.searchspace.core.SearchSpaceType attribute) DiscreteCardinalityConstraint (class in baybe.constraints.discrete) DiscreteConstraint (class in baybe.constraints.base) DiscreteCustomConstraint (class in baybe.constraints.discrete) DiscreteDependenciesConstraint (class in baybe.constraints.discrete) DiscreteExcludeConstraint (class in baybe.constraints.discrete) DiscreteLinkedParametersConstraint (class in baybe.constraints.discrete) DiscreteNoLabelDuplicatesConstraint (class in baybe.constraints.discrete) DiscreteParameter (class in baybe.parameters.base) DiscretePermutationInvarianceConstraint (class in baybe.constraints.discrete) DiscreteProductConstraint (class in baybe.constraints.discrete) DiscreteSamplingMethod (class in baybe.utils.sampling_algorithms) DiscreteSumConstraint (class in baybe.constraints.discrete) DTypeFloatNumpy (in module baybe.utils.numerical) DTypeFloatONNX (in module baybe.utils.numerical) DTypeFloatTorch (in module baybe.utils.torch) Dummy (class in baybe.utils.basic)

E

EDBOKernelFactory (class in baybe.surrogates.gaussian_process.presets.edbo) EITHER (baybe.searchspace.core.SearchSpaceType attribute) empty() (baybe.searchspace.continuous.SubspaceContinuous class method) (baybe.searchspace.discrete.SubspaceDiscrete class method) empty_encoding (baybe.searchspace.discrete.SubspaceDiscrete attribute) EmptySearchSpaceError encoding (baybe.parameters.base.DiscreteParameter attribute) (baybe.parameters.categorical.CategoricalParameter attribute) (baybe.parameters.categorical.TaskParameter attribute) (baybe.parameters.custom.CustomDiscreteParameter attribute) (baybe.parameters.numerical.NumericalDiscreteParameter attribute) (baybe.parameters.substance.SubstanceParameter attribute) estimate_product_space_size() (baybe.searchspace.core.SearchSpace static method) (baybe.searchspace.discrete.SubspaceDiscrete static method) eval_during_augmentation (baybe.constraints.base.CardinalityConstraint attribute) (baybe.constraints.base.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.ContinuousLinearConstraint attribute) (baybe.constraints.base.ContinuousNonlinearConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousCardinalityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) (baybe.constraints.discrete.DiscreteCardinalityConstraint attribute) (baybe.constraints.discrete.DiscreteCustomConstraint attribute) (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) (baybe.constraints.discrete.DiscreteExcludeConstraint attribute) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint attribute) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint attribute) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint attribute) (baybe.constraints.discrete.DiscreteProductConstraint attribute) (baybe.constraints.discrete.DiscreteSumConstraint attribute) eval_during_creation (baybe.constraints.base.CardinalityConstraint attribute) (baybe.constraints.base.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.ContinuousLinearConstraint attribute) (baybe.constraints.base.ContinuousNonlinearConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousCardinalityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) (baybe.constraints.discrete.DiscreteCardinalityConstraint attribute) (baybe.constraints.discrete.DiscreteCustomConstraint attribute) (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) (baybe.constraints.discrete.DiscreteExcludeConstraint attribute) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint attribute) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint attribute) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint attribute) (baybe.constraints.discrete.DiscreteProductConstraint attribute) (baybe.constraints.discrete.DiscreteSumConstraint attribute)

eval_during_modeling (baybe.constraints.base.CardinalityConstraint attribute) (baybe.constraints.base.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.ContinuousLinearConstraint attribute) (baybe.constraints.base.ContinuousNonlinearConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousCardinalityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) (baybe.constraints.discrete.DiscreteCardinalityConstraint attribute) (baybe.constraints.discrete.DiscreteCustomConstraint attribute) (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) (baybe.constraints.discrete.DiscreteExcludeConstraint attribute) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint attribute) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint attribute) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint attribute) (baybe.constraints.discrete.DiscreteProductConstraint attribute) (baybe.constraints.discrete.DiscreteSumConstraint attribute) evaluate() (baybe.constraints.conditions.Condition method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) exp_rep (baybe.searchspace.discrete.SubspaceDiscrete attribute) exp_rep_bytes (baybe.searchspace.discrete.MemorySize attribute) exp_rep_human_readable (baybe.searchspace.discrete.MemorySize property) exp_rep_shape (baybe.searchspace.discrete.MemorySize attribute) ExpectedImprovement (class in baybe.acquisition.acqfs)

F

failure_value (baybe.targets.binary.BinaryTarget attribute) farthest_point_sampling() (in module baybe.utils.sampling_algorithms) find_subclass() (in module baybe.utils.basic) finite_float() (in module baybe.utils.validation) fit() (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) (baybe.surrogates.base.IndependentGaussianSurrogate method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.base.SurrogateProtocol method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate method) (baybe.surrogates.linear.BayesianLinearSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.surrogates.ngboost.NGBoostSurrogate method) (baybe.surrogates.random_forest.RandomForestSurrogate method) (baybe.utils.scaling.ColumnTransformer method) FPS (baybe.utils.sampling_algorithms.DiscreteSamplingMethod attribute) FPSRecommender (class in baybe.recommenders.pure.nonpredictive.sampling) fraction_to_float() (in module baybe.utils.conversion) from_bounds() (baybe.searchspace.continuous.SubspaceContinuous class method) from_config() (baybe.campaign.Campaign class method) from_dataframe() (baybe.searchspace.continuous.SubspaceContinuous class method) (baybe.searchspace.core.SearchSpace class method) (baybe.searchspace.discrete.SubspaceDiscrete class method) from_dict() (baybe.acquisition.acqfs.ExpectedImprovement class method) (baybe.acquisition.acqfs.LogExpectedImprovement class method) (baybe.acquisition.acqfs.PosteriorMean class method) (baybe.acquisition.acqfs.PosteriorStandardDeviation class method) (baybe.acquisition.acqfs.ProbabilityOfImprovement class method) (baybe.acquisition.acqfs.qExpectedImprovement class method) (baybe.acquisition.acqfs.qKnowledgeGradient class method) (baybe.acquisition.acqfs.qLogExpectedImprovement class method) (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement class method) (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance class method) (baybe.acquisition.acqfs.qNoisyExpectedImprovement class method) (baybe.acquisition.acqfs.qProbabilityOfImprovement class method) (baybe.acquisition.acqfs.qSimpleRegret class method) (baybe.acquisition.acqfs.qThompsonSampling class method) (baybe.acquisition.acqfs.qUpperConfidenceBound class method) (baybe.acquisition.acqfs.UpperConfidenceBound class method) (baybe.acquisition.base.AcquisitionFunction class method) (baybe.campaign.Campaign class method) (baybe.constraints.base.CardinalityConstraint class method) (baybe.constraints.base.Constraint class method) (baybe.constraints.base.ContinuousConstraint class method) (baybe.constraints.base.ContinuousLinearConstraint class method) (baybe.constraints.base.ContinuousNonlinearConstraint class method) (baybe.constraints.base.DiscreteConstraint class method) (baybe.constraints.conditions.Condition class method) (baybe.constraints.conditions.SubSelectionCondition class method) (baybe.constraints.conditions.ThresholdCondition class method) (baybe.constraints.continuous.ContinuousCardinalityConstraint class method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint class method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint class method) (baybe.constraints.discrete.DiscreteCardinalityConstraint class method) (baybe.constraints.discrete.DiscreteCustomConstraint class method) (baybe.constraints.discrete.DiscreteDependenciesConstraint class method) (baybe.constraints.discrete.DiscreteExcludeConstraint class method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint class method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint class method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint class method) (baybe.constraints.discrete.DiscreteProductConstraint class method) (baybe.constraints.discrete.DiscreteSumConstraint class method) (baybe.kernels.base.BasicKernel class method) (baybe.kernels.base.CompositeKernel class method) (baybe.kernels.base.Kernel class method) (baybe.kernels.basic.LinearKernel class method) (baybe.kernels.basic.MaternKernel class method) (baybe.kernels.basic.PeriodicKernel class method) (baybe.kernels.basic.PiecewisePolynomialKernel class method) (baybe.kernels.basic.PolynomialKernel class method) (baybe.kernels.basic.RBFKernel class method) (baybe.kernels.basic.RFFKernel class method) (baybe.kernels.basic.RQKernel class method) (baybe.kernels.composite.AdditiveKernel class method) (baybe.kernels.composite.ProductKernel class method) (baybe.kernels.composite.ScaleKernel class method) (baybe.objectives.base.Objective class method) (baybe.objectives.desirability.DesirabilityObjective class method) (baybe.objectives.single.SingleTargetObjective class method) (baybe.parameters.base.ContinuousParameter class method) (baybe.parameters.base.DiscreteParameter class method) (baybe.parameters.base.Parameter class method) (baybe.parameters.categorical.CategoricalParameter class method) (baybe.parameters.categorical.TaskParameter class method) (baybe.parameters.custom.CustomDiscreteParameter class method) (baybe.parameters.numerical.NumericalContinuousParameter class method) (baybe.parameters.numerical.NumericalDiscreteParameter class method) (baybe.parameters.substance.SubstanceParameter class method) (baybe.priors.base.Prior class method) (baybe.priors.basic.BetaPrior class method) (baybe.priors.basic.GammaPrior class method) (baybe.priors.basic.HalfCauchyPrior class method) (baybe.priors.basic.HalfNormalPrior class method) (baybe.priors.basic.LogNormalPrior class method) (baybe.priors.basic.NormalPrior class method) (baybe.priors.basic.SmoothedBoxPrior class method) (baybe.recommenders.meta.base.MetaRecommender class method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender class method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender class method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender class method) (baybe.searchspace.continuous.SubspaceContinuous class method) (baybe.searchspace.core.SearchSpace class method) (baybe.searchspace.discrete.SubspaceDiscrete class method) (baybe.serialization.mixin.SerialMixin class method) (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate class method) (baybe.surrogates.base.IndependentGaussianSurrogate class method) (baybe.surrogates.base.Surrogate class method) (baybe.surrogates.custom.CustomONNXSurrogate class method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate class method) (baybe.surrogates.gaussian_process.kernel_factory.PlainKernelFactory class method) (baybe.surrogates.linear.BayesianLinearSurrogate class method) (baybe.surrogates.naive.MeanPredictionSurrogate class method) (baybe.surrogates.ngboost.NGBoostSurrogate class method) (baybe.surrogates.random_forest.RandomForestSurrogate class method) (baybe.targets.base.Target class method) (baybe.targets.binary.BinaryTarget class method) (baybe.targets.numerical.NumericalTarget class method) (baybe.utils.interval.Interval class method)

from_json() (baybe.acquisition.acqfs.ExpectedImprovement class method) (baybe.acquisition.acqfs.LogExpectedImprovement class method) (baybe.acquisition.acqfs.PosteriorMean class method) (baybe.acquisition.acqfs.PosteriorStandardDeviation class method) (baybe.acquisition.acqfs.ProbabilityOfImprovement class method) (baybe.acquisition.acqfs.qExpectedImprovement class method) (baybe.acquisition.acqfs.qKnowledgeGradient class method) (baybe.acquisition.acqfs.qLogExpectedImprovement class method) (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement class method) (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance class method) (baybe.acquisition.acqfs.qNoisyExpectedImprovement class method) (baybe.acquisition.acqfs.qProbabilityOfImprovement class method) (baybe.acquisition.acqfs.qSimpleRegret class method) (baybe.acquisition.acqfs.qThompsonSampling class method) (baybe.acquisition.acqfs.qUpperConfidenceBound class method) (baybe.acquisition.acqfs.UpperConfidenceBound class method) (baybe.acquisition.base.AcquisitionFunction class method) (baybe.campaign.Campaign class method) (baybe.constraints.base.CardinalityConstraint class method) (baybe.constraints.base.Constraint class method) (baybe.constraints.base.ContinuousConstraint class method) (baybe.constraints.base.ContinuousLinearConstraint class method) (baybe.constraints.base.ContinuousNonlinearConstraint class method) (baybe.constraints.base.DiscreteConstraint class method) (baybe.constraints.conditions.Condition class method) (baybe.constraints.conditions.SubSelectionCondition class method) (baybe.constraints.conditions.ThresholdCondition class method) (baybe.constraints.continuous.ContinuousCardinalityConstraint class method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint class method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint class method) (baybe.constraints.discrete.DiscreteCardinalityConstraint class method) (baybe.constraints.discrete.DiscreteCustomConstraint class method) (baybe.constraints.discrete.DiscreteDependenciesConstraint class method) (baybe.constraints.discrete.DiscreteExcludeConstraint class method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint class method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint class method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint class method) (baybe.constraints.discrete.DiscreteProductConstraint class method) (baybe.constraints.discrete.DiscreteSumConstraint class method) (baybe.kernels.base.BasicKernel class method) (baybe.kernels.base.CompositeKernel class method) (baybe.kernels.base.Kernel class method) (baybe.kernels.basic.LinearKernel class method) (baybe.kernels.basic.MaternKernel class method) (baybe.kernels.basic.PeriodicKernel class method) (baybe.kernels.basic.PiecewisePolynomialKernel class method) (baybe.kernels.basic.PolynomialKernel class method) (baybe.kernels.basic.RBFKernel class method) (baybe.kernels.basic.RFFKernel class method) (baybe.kernels.basic.RQKernel class method) (baybe.kernels.composite.AdditiveKernel class method) (baybe.kernels.composite.ProductKernel class method) (baybe.kernels.composite.ScaleKernel class method) (baybe.objectives.base.Objective class method) (baybe.objectives.desirability.DesirabilityObjective class method) (baybe.objectives.single.SingleTargetObjective class method) (baybe.parameters.base.ContinuousParameter class method) (baybe.parameters.base.DiscreteParameter class method) (baybe.parameters.base.Parameter class method) (baybe.parameters.categorical.CategoricalParameter class method) (baybe.parameters.categorical.TaskParameter class method) (baybe.parameters.custom.CustomDiscreteParameter class method) (baybe.parameters.numerical.NumericalContinuousParameter class method) (baybe.parameters.numerical.NumericalDiscreteParameter class method) (baybe.parameters.substance.SubstanceParameter class method) (baybe.priors.base.Prior class method) (baybe.priors.basic.BetaPrior class method) (baybe.priors.basic.GammaPrior class method) (baybe.priors.basic.HalfCauchyPrior class method) (baybe.priors.basic.HalfNormalPrior class method) (baybe.priors.basic.LogNormalPrior class method) (baybe.priors.basic.NormalPrior class method) (baybe.priors.basic.SmoothedBoxPrior class method) (baybe.recommenders.meta.base.MetaRecommender class method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender class method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender class method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender class method) (baybe.searchspace.continuous.SubspaceContinuous class method) (baybe.searchspace.core.SearchSpace class method) (baybe.searchspace.discrete.SubspaceDiscrete class method) (baybe.serialization.mixin.SerialMixin class method) (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate class method) (baybe.surrogates.base.IndependentGaussianSurrogate class method) (baybe.surrogates.base.Surrogate class method) (baybe.surrogates.custom.CustomONNXSurrogate class method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate class method) (baybe.surrogates.gaussian_process.kernel_factory.PlainKernelFactory class method) (baybe.surrogates.linear.BayesianLinearSurrogate class method) (baybe.surrogates.naive.MeanPredictionSurrogate class method) (baybe.surrogates.ngboost.NGBoostSurrogate class method) (baybe.surrogates.random_forest.RandomForestSurrogate class method) (baybe.targets.base.Target class method) (baybe.targets.binary.BinaryTarget class method) (baybe.targets.numerical.NumericalTarget class method) (baybe.utils.interval.Interval class method) from_parameter() (baybe.searchspace.continuous.SubspaceContinuous class method) (baybe.searchspace.core.SearchSpace class method) (baybe.searchspace.discrete.SubspaceDiscrete class method) from_preset() (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate static method) from_product() (baybe.searchspace.continuous.SubspaceContinuous class method) (baybe.searchspace.core.SearchSpace class method) (baybe.searchspace.discrete.SubspaceDiscrete class method) from_simplex() (baybe.searchspace.discrete.SubspaceDiscrete class method) full_factorial (baybe.searchspace.continuous.SubspaceContinuous property) fuzzy_row_match() (in module baybe.utils.dataframe)

G

GammaPrior (class in baybe.priors.basic) GaussianMixtureClusteringRecommender (class in baybe.recommenders.pure.nonpredictive.clustering) GaussianProcessPreset (class in baybe.surrogates.gaussian_process.presets.core) GaussianProcessSurrogate (class in baybe.surrogates.gaussian_process.core) GEOM_MEAN (baybe.objectives.enum.Scalarizer attribute) geom_mean() (in module baybe.utils.numerical) get_base_structure_hook() (in module baybe.serialization.core) get_baseclasses() (in module baybe.utils.basic) get_candidates() (baybe.searchspace.discrete.SubspaceDiscrete method) get_canonical_smiles() (in module baybe.utils.chemistry) get_comp_rep_parameter_indices() (baybe.searchspace.core.SearchSpace method) get_current_recommender() (baybe.recommenders.meta.base.MetaRecommender method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender method) get_integration_points() (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance method) get_invalid() (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.discrete.DiscreteCardinalityConstraint method) (baybe.constraints.discrete.DiscreteCustomConstraint method) (baybe.constraints.discrete.DiscreteDependenciesConstraint method) (baybe.constraints.discrete.DiscreteExcludeConstraint method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint method) (baybe.constraints.discrete.DiscreteProductConstraint method) (baybe.constraints.discrete.DiscreteSumConstraint method)

get_invalid_polars() (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.discrete.DiscreteCardinalityConstraint method) (baybe.constraints.discrete.DiscreteCustomConstraint method) (baybe.constraints.discrete.DiscreteDependenciesConstraint method) (baybe.constraints.discrete.DiscreteExcludeConstraint method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint method) (baybe.constraints.discrete.DiscreteProductConstraint method) (baybe.constraints.discrete.DiscreteSumConstraint method) get_model_params_validator() (in module baybe.surrogates.validation) get_next_recommender() (baybe.recommenders.meta.base.MetaRecommender method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender method) get_parameters_by_name() (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.core.SearchSpace method) (baybe.searchspace.discrete.SubspaceDiscrete method) get_parameters_from_dataframe() (in module baybe.parameters.utils) get_subclasses() (in module baybe.utils.basic) get_surrogate() (baybe.campaign.Campaign method) (baybe.recommenders.pure.bayesian.base.BayesianRecommender method) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender method) get_transform_parameters() (in module baybe.searchspace.validation) get_user_details() (in module baybe.telemetry) group_duplicate_values() (in module baybe.utils.basic)

H

HalfCauchyPrior (class in baybe.priors.basic) HalfNormalPrior (class in baybe.priors.basic)

hilberts_factory() (in module baybe.utils.basic) HYBRID (baybe.searchspace.core.SearchSpaceType attribute) hybrid_sampler (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute)

I

IncompatibilityError IncompatibleAcquisitionFunctionError IncompatibleSearchSpaceError indent() (in module baybe.utils.plotting) IndependentGaussianSurrogate (class in baybe.surrogates.base) InfiniteIntervalError initial_recommender (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender attribute) INT (baybe.parameters.enum.CategoricalEncoding attribute) Interval (class in baybe.utils.interval) InvalidSurrogateModelError InvalidTargetValueError is_abstract() (in module baybe.utils.boolean) is_bounded (baybe.utils.interval.Interval property) is_continuous (baybe.constraints.base.CardinalityConstraint property) (baybe.constraints.base.Constraint property) (baybe.constraints.base.ContinuousConstraint property) (baybe.constraints.base.ContinuousLinearConstraint property) (baybe.constraints.base.ContinuousNonlinearConstraint property) (baybe.constraints.base.DiscreteConstraint property) (baybe.constraints.continuous.ContinuousCardinalityConstraint property) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint property) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint property) (baybe.constraints.discrete.DiscreteCardinalityConstraint property) (baybe.constraints.discrete.DiscreteCustomConstraint property) (baybe.constraints.discrete.DiscreteDependenciesConstraint property) (baybe.constraints.discrete.DiscreteExcludeConstraint property) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint property) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint property) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint property) (baybe.constraints.discrete.DiscreteProductConstraint property) (baybe.constraints.discrete.DiscreteSumConstraint property) (baybe.parameters.base.ContinuousParameter property) (baybe.parameters.base.DiscreteParameter property) (baybe.parameters.base.Parameter property) (baybe.parameters.categorical.CategoricalParameter property) (baybe.parameters.categorical.TaskParameter property) (baybe.parameters.custom.CustomDiscreteParameter property) (baybe.parameters.numerical.NumericalContinuousParameter property) (baybe.parameters.numerical.NumericalDiscreteParameter property) (baybe.parameters.substance.SubstanceParameter property) is_degenerate (baybe.utils.interval.Interval property) is_discrete (baybe.constraints.base.CardinalityConstraint property) (baybe.constraints.base.Constraint property) (baybe.constraints.base.ContinuousConstraint property) (baybe.constraints.base.ContinuousLinearConstraint property) (baybe.constraints.base.ContinuousNonlinearConstraint property) (baybe.constraints.base.DiscreteConstraint property) (baybe.constraints.continuous.ContinuousCardinalityConstraint property) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint property) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint property) (baybe.constraints.discrete.DiscreteCardinalityConstraint property) (baybe.constraints.discrete.DiscreteCustomConstraint property) (baybe.constraints.discrete.DiscreteDependenciesConstraint property) (baybe.constraints.discrete.DiscreteExcludeConstraint property) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint property) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint property) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint property) (baybe.constraints.discrete.DiscreteProductConstraint property) (baybe.constraints.discrete.DiscreteSumConstraint property) (baybe.parameters.base.ContinuousParameter property) (baybe.parameters.base.DiscreteParameter property) (baybe.parameters.base.Parameter property) (baybe.parameters.categorical.CategoricalParameter property) (baybe.parameters.categorical.TaskParameter property) (baybe.parameters.custom.CustomDiscreteParameter property) (baybe.parameters.numerical.NumericalContinuousParameter property) (baybe.parameters.numerical.NumericalDiscreteParameter property) (baybe.parameters.substance.SubstanceParameter property)

is_empty (baybe.searchspace.continuous.SubspaceContinuous property) (baybe.searchspace.discrete.SubspaceDiscrete property) is_enabled() (in module baybe.telemetry) is_fully_unbounded (baybe.utils.interval.Interval property) is_half_bounded (baybe.utils.interval.Interval property) is_in_range() (baybe.parameters.base.ContinuousParameter method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.base.Parameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalContinuousParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) is_left_bounded (baybe.utils.interval.Interval property) is_numerical (baybe.parameters.base.ContinuousParameter attribute) (baybe.parameters.base.DiscreteParameter attribute) (baybe.parameters.base.Parameter attribute) (baybe.parameters.categorical.CategoricalParameter attribute) (baybe.parameters.categorical.TaskParameter attribute) (baybe.parameters.custom.CustomDiscreteParameter attribute) (baybe.parameters.numerical.NumericalContinuousParameter attribute) (baybe.parameters.numerical.NumericalDiscreteParameter attribute) (baybe.parameters.substance.SubstanceParameter attribute) is_right_bounded (baybe.utils.interval.Interval property) is_valid_smiles() (in module baybe.utils.chemistry)

K

kernel (baybe.surrogates.gaussian_process.kernel_factory.PlainKernelFactory attribute) Kernel (class in baybe.kernels.base)

kernel_factory (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate attribute) KernelFactory (class in baybe.surrogates.gaussian_process.kernel_factory) KMeansClusteringRecommender (class in baybe.recommenders.pure.nonpredictive.clustering)

L

lengthscale_initial_value (baybe.kernels.basic.MaternKernel attribute) (baybe.kernels.basic.PeriodicKernel attribute) (baybe.kernels.basic.PiecewisePolynomialKernel attribute) (baybe.kernels.basic.RBFKernel attribute) (baybe.kernels.basic.RFFKernel attribute) (baybe.kernels.basic.RQKernel attribute) lengthscale_prior (baybe.kernels.basic.MaternKernel attribute) (baybe.kernels.basic.PeriodicKernel attribute) (baybe.kernels.basic.PiecewisePolynomialKernel attribute) (baybe.kernels.basic.RBFKernel attribute) (baybe.kernels.basic.RFFKernel attribute) (baybe.kernels.basic.RQKernel attribute)

LINEAR (baybe.targets.enum.TargetTransformation attribute) linear_transform() (in module baybe.targets.transforms) LinearKernel (class in baybe.kernels.basic) loc (baybe.priors.basic.LogNormalPrior attribute) (baybe.priors.basic.NormalPrior attribute) LogExpectedImprovement (class in baybe.acquisition.acqfs) LogNormalPrior (class in baybe.priors.basic) look_up_targets() (in module baybe.simulation.lookup) lower (baybe.utils.interval.Interval attribute)

M

make_gp_from_preset() (in module baybe.surrogates.gaussian_process.presets.core) mapping (baybe.utils.scaling.ColumnTransformer attribute) mark_as_measured() (baybe.searchspace.discrete.SubspaceDiscrete method) MATCH (baybe.targets.enum.TargetMode attribute) match_attributes() (in module baybe.utils.basic) MaternKernel (class in baybe.kernels.basic) MAX (baybe.targets.enum.TargetMode attribute) max_cardinality (baybe.constraints.base.CardinalityConstraint attribute) (baybe.constraints.continuous.ContinuousCardinalityConstraint attribute) (baybe.constraints.discrete.DiscreteCardinalityConstraint attribute) maximize (baybe.acquisition.acqfs.PosteriorStandardDeviation attribute) MEAN (baybe.objectives.enum.Scalarizer attribute) MeanPredictionSurrogate (class in baybe.surrogates.naive) measurements (baybe.campaign.Campaign property) MemorySize (class in baybe.searchspace.discrete) metadata (baybe.searchspace.discrete.SubspaceDiscrete attribute) MetaRecommender (class in baybe.recommenders.meta.base) MIN (baybe.targets.enum.TargetMode attribute) min_cardinality (baybe.constraints.base.CardinalityConstraint attribute) (baybe.constraints.continuous.ContinuousCardinalityConstraint attribute) (baybe.constraints.discrete.DiscreteCardinalityConstraint attribute) mode (baybe.recommenders.meta.sequential.SequentialMetaRecommender attribute) (baybe.targets.numerical.NumericalTarget attribute) model_cluster_num_parameter_name (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender attribute) model_params (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender attribute) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender attribute) (baybe.surrogates.linear.BayesianLinearSurrogate attribute) (baybe.surrogates.ngboost.NGBoostSurrogate attribute) (baybe.surrogates.random_forest.RandomForestSurrogate attribute) ModelNotTrainedError module baybe baybe.acquisition baybe.acquisition.acqfs baybe.acquisition.base baybe.acquisition.partial baybe.acquisition.utils baybe.campaign baybe.constraints baybe.constraints.base baybe.constraints.conditions baybe.constraints.continuous baybe.constraints.discrete baybe.constraints.validation baybe.exceptions baybe.kernels baybe.kernels.base baybe.kernels.basic baybe.kernels.composite baybe.objective baybe.objectives baybe.objectives.base baybe.objectives.deprecation baybe.objectives.desirability baybe.objectives.enum baybe.objectives.single baybe.parameters baybe.parameters.base baybe.parameters.categorical baybe.parameters.custom baybe.parameters.enum baybe.parameters.numerical baybe.parameters.substance baybe.parameters.utils baybe.parameters.validation baybe.priors baybe.priors.base baybe.priors.basic baybe.recommenders baybe.recommenders.base baybe.recommenders.meta baybe.recommenders.meta.base baybe.recommenders.meta.sequential baybe.recommenders.naive baybe.recommenders.pure baybe.recommenders.pure.base baybe.recommenders.pure.bayesian baybe.recommenders.pure.bayesian.base baybe.recommenders.pure.bayesian.botorch baybe.recommenders.pure.bayesian.sequential_greedy baybe.recommenders.pure.nonpredictive baybe.recommenders.pure.nonpredictive.base baybe.recommenders.pure.nonpredictive.clustering baybe.recommenders.pure.nonpredictive.sampling baybe.searchspace baybe.searchspace.continuous baybe.searchspace.core baybe.searchspace.discrete baybe.searchspace.validation baybe.serialization baybe.serialization.core baybe.serialization.mixin baybe.serialization.utils baybe.simulation baybe.simulation.core baybe.simulation.lookup baybe.simulation.scenarios baybe.simulation.transfer_learning baybe.surrogates baybe.surrogates.bandit baybe.surrogates.base baybe.surrogates.custom baybe.surrogates.gaussian_process baybe.surrogates.gaussian_process.core baybe.surrogates.gaussian_process.kernel_factory baybe.surrogates.gaussian_process.presets baybe.surrogates.gaussian_process.presets.core baybe.surrogates.gaussian_process.presets.default baybe.surrogates.gaussian_process.presets.edbo baybe.surrogates.linear baybe.surrogates.naive baybe.surrogates.ngboost baybe.surrogates.random_forest baybe.surrogates.utils baybe.surrogates.validation baybe.targets baybe.targets.base baybe.targets.binary baybe.targets.enum baybe.targets.numerical baybe.targets.transforms baybe.telemetry baybe.utils baybe.utils.augmentation baybe.utils.basic baybe.utils.boolean baybe.utils.botorch_wrapper baybe.utils.chemistry baybe.utils.conversion baybe.utils.dataframe baybe.utils.interval baybe.utils.memory baybe.utils.numerical baybe.utils.plotting baybe.utils.random baybe.utils.sampling_algorithms baybe.utils.scaling baybe.utils.torch baybe.utils.validation

MORDRED (baybe.parameters.enum.SubstanceEncoding attribute) MORGAN_FP (baybe.parameters.enum.SubstanceEncoding attribute)

N

n_batches_done (baybe.campaign.Campaign attribute) n_fits_done (baybe.campaign.Campaign attribute) n_mc_samples (baybe.acquisition.acqfs.qThompsonSampling attribute) n_tasks (baybe.searchspace.core.SearchSpace property) NaiveHybridSpaceRecommender (class in baybe.recommenders.naive) name (baybe.parameters.base.ContinuousParameter attribute) (baybe.parameters.base.DiscreteParameter attribute) (baybe.parameters.base.Parameter attribute) (baybe.parameters.categorical.CategoricalParameter attribute) (baybe.parameters.categorical.TaskParameter attribute) (baybe.parameters.custom.CustomDiscreteParameter attribute) (baybe.parameters.numerical.NumericalContinuousParameter attribute) (baybe.parameters.numerical.NumericalDiscreteParameter attribute) (baybe.parameters.substance.SubstanceParameter attribute) (baybe.targets.base.Target attribute) (baybe.targets.binary.BinaryTarget attribute) (baybe.targets.numerical.NumericalTarget attribute) name_to_smiles() (in module baybe.utils.chemistry) NGBoostSurrogate (class in baybe.surrogates.ngboost) NoMCAcquisitionFunctionError non_inf_float() (in module baybe.utils.validation) non_nan_float() (in module baybe.utils.validation) NonPredictiveRecommender (class in baybe.recommenders.pure.nonpredictive.base) nonstring_to_tuple() (in module baybe.utils.conversion) NoRecommendersLeftError NormalPrior (class in baybe.priors.basic)

NotEnoughPointsLeftError NothingToSimulateError nu (baybe.kernels.basic.MaternKernel attribute) num_fantasies (baybe.acquisition.acqfs.qKnowledgeGradient attribute) num_samples (baybe.kernels.basic.RFFKernel attribute) numerical_only (baybe.constraints.base.CardinalityConstraint attribute) (baybe.constraints.base.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.ContinuousLinearConstraint attribute) (baybe.constraints.base.ContinuousNonlinearConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousCardinalityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) (baybe.constraints.discrete.DiscreteCardinalityConstraint attribute) (baybe.constraints.discrete.DiscreteCustomConstraint attribute) (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) (baybe.constraints.discrete.DiscreteExcludeConstraint attribute) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint attribute) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint attribute) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint attribute) (baybe.constraints.discrete.DiscreteProductConstraint attribute) (baybe.constraints.discrete.DiscreteSumConstraint attribute) NumericalContinuousParameter (class in baybe.parameters.numerical) NumericalDiscreteParameter (class in baybe.parameters.numerical) NumericalTarget (class in baybe.targets.numerical) NumericalUnderflowError

O

objective (baybe.campaign.Campaign attribute) Objective (class in baybe.objectives.base) Objective() (in module baybe.objective) offset_initial_value (baybe.kernels.basic.PolynomialKernel attribute) offset_prior (baybe.kernels.basic.PolynomialKernel attribute) OHE (baybe.parameters.enum.CategoricalEncoding attribute)

onnx_input_name (baybe.surrogates.custom.CustomONNXSurrogate attribute) onnx_str (baybe.surrogates.custom.CustomONNXSurrogate attribute) operator (baybe.constraints.conditions.ThresholdCondition attribute) OptionalImportError outputscale_initial_value (baybe.kernels.composite.ScaleKernel attribute) outputscale_prior (baybe.kernels.composite.ScaleKernel attribute)

P

PAMClusteringRecommender (class in baybe.recommenders.pure.nonpredictive.clustering) Parameter (class in baybe.parameters.base) parameter_cartesian_prod_pandas() (in module baybe.searchspace.discrete) parameter_cartesian_prod_polars() (in module baybe.searchspace.discrete) parameter_names (baybe.searchspace.continuous.SubspaceContinuous property) (baybe.searchspace.core.SearchSpace property) (baybe.searchspace.discrete.SubspaceDiscrete property) ParameterEncoding (class in baybe.parameters.enum) parameters (baybe.campaign.Campaign property) (baybe.constraints.base.CardinalityConstraint attribute) (baybe.constraints.base.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.ContinuousLinearConstraint attribute) (baybe.constraints.base.ContinuousNonlinearConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousCardinalityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) (baybe.constraints.discrete.DiscreteCardinalityConstraint attribute) (baybe.constraints.discrete.DiscreteCustomConstraint attribute) (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) (baybe.constraints.discrete.DiscreteExcludeConstraint attribute) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint attribute) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint attribute) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint attribute) (baybe.constraints.discrete.DiscreteProductConstraint attribute) (baybe.constraints.discrete.DiscreteSumConstraint attribute) (baybe.searchspace.continuous.SubspaceContinuous attribute) (baybe.searchspace.core.SearchSpace property) (baybe.searchspace.discrete.SubspaceDiscrete attribute) PartialAcquisitionFunction (class in baybe.acquisition.partial)

period_length_initial_value (baybe.kernels.basic.PeriodicKernel attribute) period_length_prior (baybe.kernels.basic.PeriodicKernel attribute) PeriodicKernel (class in baybe.kernels.basic) permutation_invariant (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) PiecewisePolynomialKernel (class in baybe.kernels.basic) pin_discrete (baybe.acquisition.partial.PartialAcquisitionFunction attribute) pinned_part (baybe.acquisition.partial.PartialAcquisitionFunction attribute) PlainKernelFactory (class in baybe.surrogates.gaussian_process.kernel_factory) PolynomialKernel (class in baybe.kernels.basic) posterior() (baybe.campaign.Campaign method) (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) (baybe.surrogates.base.IndependentGaussianSurrogate method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate method) (baybe.surrogates.linear.BayesianLinearSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.surrogates.ngboost.NGBoostSurrogate method) (baybe.surrogates.random_forest.RandomForestSurrogate method) posterior_means() (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) posterior_modes() (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) PosteriorMean (class in baybe.acquisition.acqfs) PosteriorStandardDeviation (class in baybe.acquisition.acqfs) power (baybe.kernels.basic.PolynomialKernel attribute) pretty_print_df() (in module baybe.utils.dataframe) prior (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate attribute) Prior (class in baybe.priors.base) ProbabilityOfImprovement (class in baybe.acquisition.acqfs) ProductKernel (class in baybe.kernels.composite) prune_baseline (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement attribute) (baybe.acquisition.acqfs.qNoisyExpectedImprovement attribute) PureRecommender (class in baybe.recommenders.pure.base)

Q

q (baybe.kernels.basic.PiecewisePolynomialKernel attribute) qExpectedImprovement (class in baybe.acquisition.acqfs) qKnowledgeGradient (class in baybe.acquisition.acqfs) qLogExpectedImprovement (class in baybe.acquisition.acqfs) qLogNoisyExpectedImprovement (class in baybe.acquisition.acqfs)

qNegIntegratedPosteriorVariance (class in baybe.acquisition.acqfs) qNoisyExpectedImprovement (class in baybe.acquisition.acqfs) qProbabilityOfImprovement (class in baybe.acquisition.acqfs) qSimpleRegret (class in baybe.acquisition.acqfs) qThompsonSampling (class in baybe.acquisition.acqfs) qUpperConfidenceBound (class in baybe.acquisition.acqfs)

R

Random (baybe.utils.sampling_algorithms.DiscreteSamplingMethod attribute) RandomForestSurrogate (class in baybe.surrogates.random_forest) RandomRecommender (class in baybe.recommenders.pure.nonpredictive.sampling) rate (baybe.priors.basic.GammaPrior attribute) RBFKernel (class in baybe.kernels.basic) RDKIT (baybe.parameters.enum.SubstanceEncoding attribute) recommend() (baybe.campaign.Campaign method) (baybe.recommenders.base.RecommenderProtocol method) (baybe.recommenders.meta.base.MetaRecommender method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender method) (baybe.recommenders.naive.NaiveHybridSpaceRecommender method) (baybe.recommenders.pure.base.PureRecommender method) (baybe.recommenders.pure.bayesian.base.BayesianRecommender method) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender method) (baybe.recommenders.pure.nonpredictive.base.NonPredictiveRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.GaussianMixtureClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.KMeansClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.PAMClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.clustering.SKLearnClusteringRecommender method) (baybe.recommenders.pure.nonpredictive.sampling.FPSRecommender method) (baybe.recommenders.pure.nonpredictive.sampling.RandomRecommender method)

recommender (baybe.campaign.Campaign attribute) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender attribute) RecommenderProtocol (class in baybe.recommenders.base) recommenders (baybe.recommenders.meta.sequential.SequentialMetaRecommender attribute) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender attribute) refers_to() (in module baybe.utils.basic) register_custom_architecture() (in module baybe.surrogates.custom) register_hooks() (in module baybe.utils.basic) RFFKernel (class in baybe.kernels.basic) rhs (baybe.constraints.base.ContinuousLinearConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) RQKernel (class in baybe.kernels.basic)

S

sample_from_full_factorial() (baybe.searchspace.continuous.SubspaceContinuous method) sample_inactive_parameters() (baybe.constraints.continuous.ContinuousCardinalityConstraint method) sample_numerical_df() (in module baybe.utils.sampling_algorithms) sample_uniform() (baybe.searchspace.continuous.SubspaceContinuous method) samples_full_factorial() (baybe.searchspace.continuous.SubspaceContinuous method) samples_random() (baybe.searchspace.continuous.SubspaceContinuous method) sampling_fraction (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance attribute) sampling_method (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance attribute) sampling_n_points (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance attribute) sampling_percentage (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) scalarize() (in module baybe.objectives.desirability) scalarizer (baybe.objectives.desirability.DesirabilityObjective attribute) Scalarizer (class in baybe.objectives.enum) scale (baybe.priors.basic.HalfCauchyPrior attribute) (baybe.priors.basic.HalfNormalPrior attribute) (baybe.priors.basic.LogNormalPrior attribute) (baybe.priors.basic.NormalPrior attribute) ScaleKernel (class in baybe.kernels.composite) searchspace (baybe.campaign.Campaign attribute) SearchSpace (class in baybe.searchspace.core) SearchSpaceType (class in baybe.searchspace.core) select_constructor_hook() (in module baybe.serialization.core) select_recommender() (baybe.recommenders.meta.base.MetaRecommender method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender method) selection (baybe.constraints.conditions.SubSelectionCondition property) sequential_continuous (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender attribute) SequentialGreedyRecommender() (in module baybe.recommenders.pure.bayesian.sequential_greedy) SequentialMetaRecommender (class in baybe.recommenders.meta.sequential) serialize_dataframe() (in module baybe.serialization.utils) SerialMixin (class in baybe.serialization.mixin) set_random_seed() (in module baybe.utils.random) set_X_pending() (baybe.acquisition.partial.PartialAcquisitionFunction method) sigma (baybe.priors.basic.SmoothedBoxPrior attribute) simulate_experiment() (in module baybe.simulation.core) simulate_scenarios() (in module baybe.simulation.scenarios) simulate_transfer_learning() (in module baybe.simulation.transfer_learning) SingleTargetObjective (class in baybe.objectives.single) SKLearnClusteringRecommender (class in baybe.recommenders.pure.nonpredictive.clustering) Smiles (in module baybe.parameters.substance) smiles_to_fp_features() (in module baybe.utils.chemistry) smiles_to_molecules() (in module baybe.utils.chemistry) smiles_to_mordred_features() (in module baybe.utils.chemistry) smiles_to_rdkit_features() (in module baybe.utils.chemistry) SmoothedBoxPrior (class in baybe.priors.basic) sort_parameters() (in module baybe.parameters.utils) str_to_acqf() (in module baybe.acquisition.utils) StreamingSequentialMetaRecommender (class in baybe.recommenders.meta.sequential) strtobool() (in module baybe.utils.boolean)

structure_objective() (in module baybe.objectives.deprecation) SubSelectionCondition (class in baybe.constraints.conditions) SubspaceContinuous (class in baybe.searchspace.continuous) SubspaceDiscrete (class in baybe.searchspace.discrete) SubstanceEncoding (class in baybe.parameters.enum) SubstanceParameter (class in baybe.parameters.substance) success_value (baybe.targets.binary.BinaryTarget attribute) summary() (baybe.constraints.base.CardinalityConstraint method) (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.ContinuousLinearConstraint method) (baybe.constraints.base.ContinuousNonlinearConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.continuous.ContinuousCardinalityConstraint method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint method) (baybe.constraints.discrete.DiscreteCardinalityConstraint method) (baybe.constraints.discrete.DiscreteCustomConstraint method) (baybe.constraints.discrete.DiscreteDependenciesConstraint method) (baybe.constraints.discrete.DiscreteExcludeConstraint method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint method) (baybe.constraints.discrete.DiscreteProductConstraint method) (baybe.constraints.discrete.DiscreteSumConstraint method) (baybe.parameters.base.ContinuousParameter method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.base.Parameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalContinuousParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) (baybe.targets.base.Target method) (baybe.targets.binary.BinaryTarget method) (baybe.targets.numerical.NumericalTarget method) supports_transfer_learning (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate attribute) (baybe.surrogates.base.IndependentGaussianSurrogate attribute) (baybe.surrogates.base.Surrogate attribute) (baybe.surrogates.custom.CustomONNXSurrogate attribute) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate attribute) (baybe.surrogates.linear.BayesianLinearSurrogate attribute) (baybe.surrogates.naive.MeanPredictionSurrogate attribute) (baybe.surrogates.ngboost.NGBoostSurrogate attribute) (baybe.surrogates.random_forest.RandomForestSurrogate attribute) Surrogate (class in baybe.surrogates.base) surrogate_model (baybe.recommenders.pure.bayesian.base.BayesianRecommender property) (baybe.recommenders.pure.bayesian.botorch.BotorchRecommender property) SurrogateProtocol (class in baybe.surrogates.base) switch_after (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender attribute)

T

Target (class in baybe.targets.base) TargetMode (class in baybe.targets.enum) targets (baybe.campaign.Campaign property) (baybe.objectives.base.Objective property) (baybe.objectives.desirability.DesirabilityObjective property) (baybe.objectives.single.SingleTargetObjective property) TargetTransformation (class in baybe.targets.enum) task_idx (baybe.searchspace.core.SearchSpace property) TaskParameter (class in baybe.parameters.categorical) telemetry_record_recommended_measurement_percentage() (in module baybe.telemetry) telemetry_record_value() (in module baybe.telemetry) temporary_seed() (in module baybe.utils.random) threshold (baybe.constraints.conditions.ThresholdCondition attribute) ThresholdCondition (class in baybe.constraints.conditions) to_botorch() (baybe.acquisition.acqfs.ExpectedImprovement method) (baybe.acquisition.acqfs.LogExpectedImprovement method) (baybe.acquisition.acqfs.PosteriorMean method) (baybe.acquisition.acqfs.PosteriorStandardDeviation method) (baybe.acquisition.acqfs.ProbabilityOfImprovement method) (baybe.acquisition.acqfs.qExpectedImprovement method) (baybe.acquisition.acqfs.qKnowledgeGradient method) (baybe.acquisition.acqfs.qLogExpectedImprovement method) (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance method) (baybe.acquisition.acqfs.qNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qProbabilityOfImprovement method) (baybe.acquisition.acqfs.qSimpleRegret method) (baybe.acquisition.acqfs.qThompsonSampling method) (baybe.acquisition.acqfs.qUpperConfidenceBound method) (baybe.acquisition.acqfs.UpperConfidenceBound method) (baybe.acquisition.base.AcquisitionFunction method) (baybe.constraints.base.ContinuousLinearConstraint method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint method) (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) (baybe.surrogates.base.IndependentGaussianSurrogate method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.base.SurrogateProtocol method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate method) (baybe.surrogates.linear.BayesianLinearSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.surrogates.ngboost.NGBoostSurrogate method) (baybe.surrogates.random_forest.RandomForestSurrogate method) to_dict() (baybe.acquisition.acqfs.ExpectedImprovement method) (baybe.acquisition.acqfs.LogExpectedImprovement method) (baybe.acquisition.acqfs.PosteriorMean method) (baybe.acquisition.acqfs.PosteriorStandardDeviation method) (baybe.acquisition.acqfs.ProbabilityOfImprovement method) (baybe.acquisition.acqfs.qExpectedImprovement method) (baybe.acquisition.acqfs.qKnowledgeGradient method) (baybe.acquisition.acqfs.qLogExpectedImprovement method) (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance method) (baybe.acquisition.acqfs.qNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qProbabilityOfImprovement method) (baybe.acquisition.acqfs.qSimpleRegret method) (baybe.acquisition.acqfs.qThompsonSampling method) (baybe.acquisition.acqfs.qUpperConfidenceBound method) (baybe.acquisition.acqfs.UpperConfidenceBound method) (baybe.acquisition.base.AcquisitionFunction method) (baybe.campaign.Campaign method) (baybe.constraints.base.CardinalityConstraint method) (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.ContinuousLinearConstraint method) (baybe.constraints.base.ContinuousNonlinearConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.conditions.Condition method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) (baybe.constraints.continuous.ContinuousCardinalityConstraint method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint method) (baybe.constraints.discrete.DiscreteCardinalityConstraint method) (baybe.constraints.discrete.DiscreteCustomConstraint method) (baybe.constraints.discrete.DiscreteDependenciesConstraint method) (baybe.constraints.discrete.DiscreteExcludeConstraint method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint method) (baybe.constraints.discrete.DiscreteProductConstraint method) (baybe.constraints.discrete.DiscreteSumConstraint method) (baybe.kernels.base.BasicKernel method) (baybe.kernels.base.CompositeKernel method) (baybe.kernels.base.Kernel method) (baybe.kernels.basic.LinearKernel method) (baybe.kernels.basic.MaternKernel method) (baybe.kernels.basic.PeriodicKernel method) (baybe.kernels.basic.PiecewisePolynomialKernel method) (baybe.kernels.basic.PolynomialKernel method) (baybe.kernels.basic.RBFKernel method) (baybe.kernels.basic.RFFKernel method) (baybe.kernels.basic.RQKernel method) (baybe.kernels.composite.AdditiveKernel method) (baybe.kernels.composite.ProductKernel method) (baybe.kernels.composite.ScaleKernel method) (baybe.objectives.base.Objective method) (baybe.objectives.desirability.DesirabilityObjective method) (baybe.objectives.single.SingleTargetObjective method) (baybe.parameters.base.ContinuousParameter method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.base.Parameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalContinuousParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) (baybe.priors.base.Prior method) (baybe.priors.basic.BetaPrior method) (baybe.priors.basic.GammaPrior method) (baybe.priors.basic.HalfCauchyPrior method) (baybe.priors.basic.HalfNormalPrior method) (baybe.priors.basic.LogNormalPrior method) (baybe.priors.basic.NormalPrior method) (baybe.priors.basic.SmoothedBoxPrior method) (baybe.recommenders.meta.base.MetaRecommender method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender method) (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.core.SearchSpace method) (baybe.searchspace.discrete.SubspaceDiscrete method) (baybe.serialization.mixin.SerialMixin method) (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) (baybe.surrogates.base.IndependentGaussianSurrogate method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate method) (baybe.surrogates.gaussian_process.kernel_factory.PlainKernelFactory method) (baybe.surrogates.linear.BayesianLinearSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.surrogates.ngboost.NGBoostSurrogate method) (baybe.surrogates.random_forest.RandomForestSurrogate method) (baybe.targets.base.Target method) (baybe.targets.binary.BinaryTarget method) (baybe.targets.numerical.NumericalTarget method) (baybe.utils.interval.Interval method) to_factory() (baybe.kernels.base.BasicKernel method) (baybe.kernels.base.CompositeKernel method) (baybe.kernels.base.Kernel method) (baybe.kernels.basic.LinearKernel method) (baybe.kernels.basic.MaternKernel method) (baybe.kernels.basic.PeriodicKernel method) (baybe.kernels.basic.PiecewisePolynomialKernel method) (baybe.kernels.basic.PolynomialKernel method) (baybe.kernels.basic.RBFKernel method) (baybe.kernels.basic.RFFKernel method) (baybe.kernels.basic.RQKernel method) (baybe.kernels.composite.AdditiveKernel method) (baybe.kernels.composite.ProductKernel method) (baybe.kernels.composite.ScaleKernel method) to_gpytorch() (baybe.kernels.base.BasicKernel method) (baybe.kernels.base.CompositeKernel method) (baybe.kernels.base.Kernel method) (baybe.kernels.basic.LinearKernel method) (baybe.kernels.basic.MaternKernel method) (baybe.kernels.basic.PeriodicKernel method) (baybe.kernels.basic.PiecewisePolynomialKernel method) (baybe.kernels.basic.PolynomialKernel method) (baybe.kernels.basic.RBFKernel method) (baybe.kernels.basic.RFFKernel method) (baybe.kernels.basic.RQKernel method) (baybe.kernels.composite.AdditiveKernel method) (baybe.kernels.composite.ProductKernel method) (baybe.kernels.composite.ScaleKernel method) (baybe.priors.base.Prior method) (baybe.priors.basic.BetaPrior method) (baybe.priors.basic.GammaPrior method) (baybe.priors.basic.HalfCauchyPrior method) (baybe.priors.basic.HalfNormalPrior method) (baybe.priors.basic.LogNormalPrior method) (baybe.priors.basic.NormalPrior method) (baybe.priors.basic.SmoothedBoxPrior method)

to_json() (baybe.acquisition.acqfs.ExpectedImprovement method) (baybe.acquisition.acqfs.LogExpectedImprovement method) (baybe.acquisition.acqfs.PosteriorMean method) (baybe.acquisition.acqfs.PosteriorStandardDeviation method) (baybe.acquisition.acqfs.ProbabilityOfImprovement method) (baybe.acquisition.acqfs.qExpectedImprovement method) (baybe.acquisition.acqfs.qKnowledgeGradient method) (baybe.acquisition.acqfs.qLogExpectedImprovement method) (baybe.acquisition.acqfs.qLogNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qNegIntegratedPosteriorVariance method) (baybe.acquisition.acqfs.qNoisyExpectedImprovement method) (baybe.acquisition.acqfs.qProbabilityOfImprovement method) (baybe.acquisition.acqfs.qSimpleRegret method) (baybe.acquisition.acqfs.qThompsonSampling method) (baybe.acquisition.acqfs.qUpperConfidenceBound method) (baybe.acquisition.acqfs.UpperConfidenceBound method) (baybe.acquisition.base.AcquisitionFunction method) (baybe.campaign.Campaign method) (baybe.constraints.base.CardinalityConstraint method) (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.ContinuousLinearConstraint method) (baybe.constraints.base.ContinuousNonlinearConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.conditions.Condition method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) (baybe.constraints.continuous.ContinuousCardinalityConstraint method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint method) (baybe.constraints.discrete.DiscreteCardinalityConstraint method) (baybe.constraints.discrete.DiscreteCustomConstraint method) (baybe.constraints.discrete.DiscreteDependenciesConstraint method) (baybe.constraints.discrete.DiscreteExcludeConstraint method) (baybe.constraints.discrete.DiscreteLinkedParametersConstraint method) (baybe.constraints.discrete.DiscreteNoLabelDuplicatesConstraint method) (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint method) (baybe.constraints.discrete.DiscreteProductConstraint method) (baybe.constraints.discrete.DiscreteSumConstraint method) (baybe.kernels.base.BasicKernel method) (baybe.kernels.base.CompositeKernel method) (baybe.kernels.base.Kernel method) (baybe.kernels.basic.LinearKernel method) (baybe.kernels.basic.MaternKernel method) (baybe.kernels.basic.PeriodicKernel method) (baybe.kernels.basic.PiecewisePolynomialKernel method) (baybe.kernels.basic.PolynomialKernel method) (baybe.kernels.basic.RBFKernel method) (baybe.kernels.basic.RFFKernel method) (baybe.kernels.basic.RQKernel method) (baybe.kernels.composite.AdditiveKernel method) (baybe.kernels.composite.ProductKernel method) (baybe.kernels.composite.ScaleKernel method) (baybe.objectives.base.Objective method) (baybe.objectives.desirability.DesirabilityObjective method) (baybe.objectives.single.SingleTargetObjective method) (baybe.parameters.base.ContinuousParameter method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.base.Parameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalContinuousParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) (baybe.priors.base.Prior method) (baybe.priors.basic.BetaPrior method) (baybe.priors.basic.GammaPrior method) (baybe.priors.basic.HalfCauchyPrior method) (baybe.priors.basic.HalfNormalPrior method) (baybe.priors.basic.LogNormalPrior method) (baybe.priors.basic.NormalPrior method) (baybe.priors.basic.SmoothedBoxPrior method) (baybe.recommenders.meta.base.MetaRecommender method) (baybe.recommenders.meta.sequential.SequentialMetaRecommender method) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender method) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender method) (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.core.SearchSpace method) (baybe.searchspace.discrete.SubspaceDiscrete method) (baybe.serialization.mixin.SerialMixin method) (baybe.surrogates.bandit.BetaBernoulliMultiArmedBanditSurrogate method) (baybe.surrogates.base.IndependentGaussianSurrogate method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.core.GaussianProcessSurrogate method) (baybe.surrogates.gaussian_process.kernel_factory.PlainKernelFactory method) (baybe.surrogates.linear.BayesianLinearSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.surrogates.ngboost.NGBoostSurrogate method) (baybe.surrogates.random_forest.RandomForestSurrogate method) (baybe.targets.base.Target method) (baybe.targets.binary.BinaryTarget method) (baybe.targets.numerical.NumericalTarget method) (baybe.utils.interval.Interval method) to_kernel_factory() (in module baybe.surrogates.gaussian_process.kernel_factory) to_ndarray() (baybe.utils.interval.Interval method) to_objective() (baybe.targets.base.Target method) (baybe.targets.binary.BinaryTarget method) (baybe.targets.numerical.NumericalTarget method) (in module baybe.objectives.base) to_polars() (baybe.constraints.conditions.Condition method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) to_searchspace() (baybe.parameters.base.ContinuousParameter method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.base.Parameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalContinuousParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.discrete.SubspaceDiscrete method) (in module baybe.searchspace.core) to_string() (in module baybe.utils.plotting) to_subspace() (baybe.parameters.base.ContinuousParameter method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalContinuousParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) to_tensor() (baybe.utils.interval.Interval method) (in module baybe.utils.dataframe) to_tuple() (baybe.utils.interval.Interval method) (in module baybe.utils.basic) tolerance (baybe.constraints.conditions.ThresholdCondition attribute) (baybe.parameters.numerical.NumericalDiscreteParameter attribute) transform() (baybe.objectives.base.Objective method) (baybe.objectives.desirability.DesirabilityObjective method) (baybe.objectives.single.SingleTargetObjective method) (baybe.parameters.base.DiscreteParameter method) (baybe.parameters.categorical.CategoricalParameter method) (baybe.parameters.categorical.TaskParameter method) (baybe.parameters.custom.CustomDiscreteParameter method) (baybe.parameters.numerical.NumericalDiscreteParameter method) (baybe.parameters.substance.SubstanceParameter method) (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.core.SearchSpace method) (baybe.searchspace.discrete.SubspaceDiscrete method) (baybe.targets.base.Target method) (baybe.targets.binary.BinaryTarget method) (baybe.targets.numerical.NumericalTarget method) (baybe.utils.scaling.ColumnTransformer method) transformation (baybe.targets.numerical.NumericalTarget attribute) TRIANGULAR (baybe.targets.enum.TargetTransformation attribute) triangular_transform() (in module baybe.targets.transforms) TwoPhaseMetaRecommender (class in baybe.recommenders.meta.sequential) type (baybe.searchspace.core.SearchSpace property)

U

UnidentifiedSubclassError UnmatchedAttributeError unstructure_base() (in module baybe.serialization.core)

UnusedObjectWarning upper (baybe.utils.interval.Interval attribute) UpperConfidenceBound (class in baybe.acquisition.acqfs) use_fallback_constructor_hook() (in module baybe.utils.interval)

V

validate_cardinality_constraints_are_nonoverlapping() (in module baybe.constraints.validation) validate_compatibility() (baybe.surrogates.custom.CustomONNXSurrogate class method) validate_config() (baybe.campaign.Campaign class method) validate_constraints() (in module baybe.constraints.validation) validate_custom_architecture_cls() (in module baybe.surrogates.validation) validate_decorrelation() (in module baybe.parameters.validation) validate_is_finite() (in module baybe.parameters.validation) validate_not_nan() (in module baybe.utils.validation) validate_parameter_names() (in module baybe.searchspace.validation) validate_parameters() (in module baybe.searchspace.validation) validate_searchspace_from_config() (in module baybe.searchspace.core) validate_simplex_subspace_from_config() (in module baybe.searchspace.discrete)

validate_unique_values() (in module baybe.parameters.validation) validator (baybe.constraints.discrete.DiscreteCustomConstraint attribute) values (baybe.parameters.base.DiscreteParameter property) (baybe.parameters.categorical.CategoricalParameter property) (baybe.parameters.categorical.TaskParameter property) (baybe.parameters.custom.CustomDiscreteParameter property) (baybe.parameters.numerical.NumericalDiscreteParameter property) (baybe.parameters.substance.SubstanceParameter property) variance_initial_value (baybe.kernels.basic.LinearKernel attribute) variance_prior (baybe.kernels.basic.LinearKernel attribute) VARNAME_NUMPY_USE_SINGLE_PRECISION (in module baybe.utils.numerical) VARNAME_TORCH_USE_SINGLE_PRECISION (in module baybe.utils.torch)

W

weights (baybe.objectives.desirability.DesirabilityObjective attribute)