Index _ | A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | R | S | T | U | V | W | X | Z _ __init__() (baybe.acquisition.AdapterModel method) (baybe.acquisition.PartialAcquisitionFunction method) (baybe.campaign.Campaign method) (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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.IncompatibleSearchSpaceError method) (baybe.exceptions.ModelParamsNotSupportedError 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.objective.Objective 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.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.sequential_greedy.SequentialGreedyRecommender 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.scaler.DefaultScaler method) (baybe.scaler.Scaler method) (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.core.SearchSpace method) (baybe.searchspace.discrete.SubspaceDiscrete method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.targets.base.Target method) (baybe.targets.numerical.NumericalTarget method) (baybe.utils.basic.Dummy method) (baybe.utils.interval.InfiniteIntervalError method) (baybe.utils.interval.Interval method) __new__() (baybe.exceptions.DeprecationError method) (baybe.exceptions.EmptySearchSpaceError method) (baybe.exceptions.IncompatibleSearchSpaceError method) (baybe.exceptions.ModelParamsNotSupportedError 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.parameters.enum.CategoricalEncoding method) (baybe.parameters.enum.CustomEncoding method) (baybe.parameters.enum.SubstanceEncoding method) (baybe.utils.interval.InfiniteIntervalError method) A acqf (baybe.acquisition.PartialAcquisitionFunction attribute) acquisition_function_cls (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender attribute) active_values (baybe.parameters.categorical.TaskParameter attribute) AdapterModel (class in baybe.acquisition) add_fake_results() (in module baybe.utils.dataframe) add_measurements() (baybe.campaign.Campaign method) add_module() (baybe.acquisition.AdapterModel method) add_parameter_noise() (in module baybe.utils.dataframe) affected_parameters (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) allow_recommending_already_measured (baybe.recommenders.meta.base.MetaRecommender attribute) (baybe.recommenders.meta.sequential.SequentialMetaRecommender attribute) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender attribute) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender attribute) (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) (baybe.recommenders.pure.base.PureRecommender attribute) (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender 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.meta.base.MetaRecommender attribute) (baybe.recommenders.meta.sequential.SequentialMetaRecommender attribute) (baybe.recommenders.meta.sequential.StreamingSequentialMetaRecommender attribute) (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender attribute) (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) (baybe.recommenders.pure.base.PureRecommender attribute) (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender 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) apply() (baybe.acquisition.AdapterModel method) B batch_shape (baybe.acquisition.AdapterModel property) batchify() (in module baybe.surrogates.utils) baybe module baybe.acquisition 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.objective 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.recommenders module baybe.recommenders.base module baybe.recommenders.deprecation 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.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.scaler 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.strategies module baybe.surrogates module baybe.surrogates.base module baybe.surrogates.custom module baybe.surrogates.gaussian_process 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.enum module baybe.targets.numerical module baybe.targets.transforms module baybe.telemetry module baybe.utils module baybe.utils.basic module baybe.utils.boolean module baybe.utils.botorch_wrapper module baybe.utils.chemistry module baybe.utils.dataframe module baybe.utils.interval module baybe.utils.numerical module baybe.utils.plotting module baybe.utils.sampling_algorithms module BayesianRecommender (class in baybe.recommenders.pure.bayesian.base) BELL (baybe.targets.enum.TargetTransformation attribute) bell_transform() (in module baybe.targets.transforms) bfloat16() (baybe.acquisition.AdapterModel method) block_deserialization_hook() (in module baybe.serialization.core) block_serialization_hook() (in module baybe.serialization.core) botorch_function_wrapper() (in module baybe.utils.botorch_wrapper) bounds (baybe.parameters.numerical.NumericalContinuousParameter attribute) (baybe.targets.numerical.NumericalTarget attribute) buffers() (baybe.acquisition.AdapterModel method) C Campaign (class in baybe.campaign) 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) children() (baybe.acquisition.AdapterModel method) closer_element() (in module baybe.utils.numerical) closest_element() (in module baybe.utils.numerical) coefficients (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) combine_func (baybe.objective.Objective attribute) 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) compatibility (baybe.recommenders.naive.NaiveHybridSpaceRecommender attribute) (baybe.recommenders.pure.base.PureRecommender attribute) (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender 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) compile() (baybe.acquisition.AdapterModel method) condition (baybe.constraints.discrete.DiscreteProductConstraint attribute) (baybe.constraints.discrete.DiscreteSumConstraint attribute) Condition (class in baybe.constraints.conditions) condition_on_observations() (baybe.acquisition.AdapterModel method) 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_lin_eq (baybe.searchspace.continuous.SubspaceContinuous attribute) constraints_lin_ineq (baybe.searchspace.continuous.SubspaceContinuous attribute) construct_inputs() (baybe.acquisition.AdapterModel class method) 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) ContinuousConstraint (class in baybe.constraints.base) ContinuousLinearEqualityConstraint (class in baybe.constraints.continuous) ContinuousLinearInequalityConstraint (class in baybe.constraints.continuous) ContinuousParameter (class in baybe.parameters.base) convert_bounds() (in module baybe.utils.interval) converter (in module baybe.serialization.core) cpu() (baybe.acquisition.AdapterModel method) create() (baybe.utils.interval.Interval class method) create_example_plots() (in module baybe.utils.plotting) cuda() (baybe.acquisition.AdapterModel method) 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) debotorchize() (in module baybe.acquisition) 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) DefaultScaler (class in baybe.scaler) dependencies (baybe.constraints.discrete.DiscretePermutationInvarianceConstraint attribute) DeprecationError deserialize_dataframe() (in module baybe.serialization.utils) 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) 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) DiscreteSumConstraint (class in baybe.constraints.discrete) double() (baybe.acquisition.AdapterModel method) DTypeFloatNumpy (in module baybe.utils.numerical) DTypeFloatONNX (in module baybe.utils.numerical) DTypeFloatTorch (in module baybe.utils.numerical) Dummy (class in baybe.utils.basic) E 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) eval() (baybe.acquisition.AdapterModel method) eval_during_creation (baybe.constraints.base.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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) extra_repr() (baybe.acquisition.AdapterModel method) F farthest_point_sampling() (in module baybe.utils.sampling_algorithms) fit() (baybe.surrogates.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) fit_transform() (baybe.scaler.DefaultScaler method) (baybe.scaler.Scaler method) float() (baybe.acquisition.AdapterModel method) forward() (baybe.acquisition.AdapterModel method) FPSRecommender (class in baybe.recommenders.pure.nonpredictive.sampling) 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.campaign.Campaign class method) (baybe.constraints.base.Constraint class method) (baybe.constraints.base.ContinuousConstraint 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.ContinuousLinearEqualityConstraint class method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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.objective.Objective 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.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.base.Surrogate class method) (baybe.surrogates.custom.CustomONNXSurrogate class method) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate class method) (baybe.surrogates.naive.MeanPredictionSurrogate class method) (baybe.targets.base.Target class method) (baybe.targets.numerical.NumericalTarget class method) (baybe.utils.interval.Interval class method) from_json() (baybe.campaign.Campaign class method) (baybe.constraints.base.Constraint class method) (baybe.constraints.base.ContinuousConstraint 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.ContinuousLinearEqualityConstraint class method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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.objective.Objective 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.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.base.Surrogate class method) (baybe.surrogates.custom.CustomONNXSurrogate class method) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate class method) (baybe.surrogates.naive.MeanPredictionSurrogate class method) (baybe.targets.base.Target class method) (baybe.targets.numerical.NumericalTarget class method) (baybe.utils.interval.Interval class method) from_product() (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 GaussianMixtureClusteringRecommender (class in baybe.recommenders.pure.nonpredictive.clustering) GaussianProcessSurrogate (class in baybe.surrogates.gaussian_process) geom_mean() (in module baybe.utils.numerical) get_available_surrogates() (in module baybe.surrogates.base) get_base_structure_hook() (in module baybe.serialization.core) get_buffer() (baybe.acquisition.AdapterModel method) get_candidates() (baybe.searchspace.discrete.SubspaceDiscrete method) get_canonical_smiles() (in module baybe.utils.chemistry) get_extra_state() (baybe.acquisition.AdapterModel method) get_invalid() (baybe.constraints.base.DiscreteConstraint 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_parameter() (baybe.acquisition.AdapterModel method) get_parameters_from_dataframe() (in module baybe.parameters.utils) get_subclasses() (in module baybe.utils.basic) get_submodule() (baybe.acquisition.AdapterModel method) get_user_details() (in module baybe.telemetry) group_duplicate_values() (in module baybe.utils.basic) H half() (baybe.acquisition.AdapterModel method) hilberts_factory() (in module baybe.utils.basic) HYBRID (baybe.searchspace.core.SearchSpaceType attribute) hybrid_sampler (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender attribute) I IncompatibleSearchSpaceError InfiniteIntervalError initial_recommender (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender attribute) INT (baybe.parameters.enum.CategoricalEncoding attribute) Interval (class in baybe.utils.interval) ipu() (baybe.acquisition.AdapterModel method) is_abstract() (in module baybe.utils.boolean) is_bounded (baybe.utils.interval.Interval property) is_continuous (baybe.constraints.base.Constraint property) (baybe.constraints.base.ContinuousConstraint property) (baybe.constraints.base.DiscreteConstraint property) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint property) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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) is_discrete (baybe.constraints.base.Constraint property) (baybe.constraints.base.ContinuousConstraint property) (baybe.constraints.base.DiscreteConstraint property) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint property) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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) is_empty (baybe.searchspace.continuous.SubspaceContinuous property) (baybe.searchspace.discrete.SubspaceDiscrete property) is_enabled() (in module baybe.telemetry) is_finite (baybe.utils.interval.Interval property) 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_numeric (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) J joint_posterior (baybe.surrogates.base.Surrogate attribute) (baybe.surrogates.custom.CustomONNXSurrogate attribute) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate attribute) (baybe.surrogates.naive.MeanPredictionSurrogate attribute) K KMeansClusteringRecommender (class in baybe.recommenders.pure.nonpredictive.clustering) L LINEAR (baybe.targets.enum.TargetTransformation attribute) linear_transform() (in module baybe.targets.transforms) load_state_dict() (baybe.acquisition.AdapterModel method) lower (baybe.utils.interval.Interval attribute) M mark_as_measured() (baybe.searchspace.discrete.SubspaceDiscrete method) MATCH (baybe.targets.enum.TargetMode attribute) MAX (baybe.targets.enum.TargetMode attribute) MeanPredictionSurrogate (class in baybe.surrogates.naive) measurements (baybe.campaign.Campaign property) metadata (baybe.searchspace.discrete.SubspaceDiscrete attribute) MetaRecommender (class in baybe.recommenders.meta.base) MIN (baybe.targets.enum.TargetMode attribute) mode (baybe.objective.Objective attribute) (baybe.recommenders.meta.sequential.SequentialMetaRecommender attribute) (baybe.targets.numerical.NumericalTarget attribute) model_class (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_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.base.Surrogate attribute) (baybe.surrogates.custom.CustomONNXSurrogate attribute) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate attribute) (baybe.surrogates.naive.MeanPredictionSurrogate attribute) ModelParamsNotSupportedError module baybe baybe.acquisition baybe.campaign baybe.constraints baybe.constraints.base baybe.constraints.conditions baybe.constraints.continuous baybe.constraints.discrete baybe.constraints.validation baybe.exceptions baybe.objective 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.recommenders baybe.recommenders.base baybe.recommenders.deprecation 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.sequential_greedy baybe.recommenders.pure.nonpredictive baybe.recommenders.pure.nonpredictive.base baybe.recommenders.pure.nonpredictive.clustering baybe.recommenders.pure.nonpredictive.sampling baybe.scaler 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.strategies baybe.surrogates baybe.surrogates.base baybe.surrogates.custom baybe.surrogates.gaussian_process 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.enum baybe.targets.numerical baybe.targets.transforms baybe.telemetry baybe.utils baybe.utils.basic baybe.utils.boolean baybe.utils.botorch_wrapper baybe.utils.chemistry baybe.utils.dataframe baybe.utils.interval baybe.utils.numerical baybe.utils.plotting baybe.utils.sampling_algorithms modules() (baybe.acquisition.AdapterModel method) 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_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.numerical.NumericalTarget attribute) name_to_smiles() (in module baybe.utils.chemistry) named_buffers() (baybe.acquisition.AdapterModel method) named_children() (baybe.acquisition.AdapterModel method) named_modules() (baybe.acquisition.AdapterModel method) named_parameters() (baybe.acquisition.AdapterModel method) NoMCAcquisitionFunctionError NonPredictiveRecommender (class in baybe.recommenders.pure.nonpredictive.base) NoRecommendersLeftError NotEnoughPointsLeftError NothingToSimulateError num_outputs (baybe.acquisition.AdapterModel property) numerical_measurements_must_be_within_tolerance (baybe.campaign.Campaign 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.objective) 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 P PAMClusteringRecommender (class in baybe.recommenders.pure.nonpredictive.clustering) param_bounds_comp (baybe.searchspace.continuous.SubspaceContinuous property) (baybe.searchspace.core.SearchSpace property) (baybe.searchspace.discrete.SubspaceDiscrete property) param_names (baybe.searchspace.continuous.SubspaceContinuous property) Parameter (class in baybe.parameters.base) parameter_cartesian_prod_to_df() (in module baybe.searchspace.discrete) ParameterEncoding (class in baybe.parameters.enum) parameters (baybe.campaign.Campaign property) (baybe.constraints.base.Constraint attribute) (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.base.DiscreteConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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) parameters() (baybe.acquisition.AdapterModel method) PartialAcquisitionFunction (class in baybe.acquisition) permutation_invariant (baybe.constraints.discrete.DiscreteDependenciesConstraint attribute) pin_discrete (baybe.acquisition.PartialAcquisitionFunction attribute) pinned_part (baybe.acquisition.PartialAcquisitionFunction attribute) posterior() (baybe.acquisition.AdapterModel method) (baybe.surrogates.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) pretty_print_df() (in module baybe.utils.dataframe) PureRecommender (class in baybe.recommenders.pure.base) R RandomRecommender (class in baybe.recommenders.pure.nonpredictive.sampling) 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.sequential_greedy.SequentialGreedyRecommender 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) register_backward_hook() (baybe.acquisition.AdapterModel method) register_buffer() (baybe.acquisition.AdapterModel method) register_custom_architecture() (in module baybe.surrogates.custom) register_forward_hook() (baybe.acquisition.AdapterModel method) register_forward_pre_hook() (baybe.acquisition.AdapterModel method) register_full_backward_hook() (baybe.acquisition.AdapterModel method) register_full_backward_pre_hook() (baybe.acquisition.AdapterModel method) register_load_state_dict_post_hook() (baybe.acquisition.AdapterModel method) register_module() (baybe.acquisition.AdapterModel method) register_parameter() (baybe.acquisition.AdapterModel method) register_state_dict_pre_hook() (baybe.acquisition.AdapterModel method) requires_grad_() (baybe.acquisition.AdapterModel method) rhs (baybe.constraints.base.ContinuousConstraint attribute) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint attribute) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint attribute) S samples_full_factorial() (baybe.searchspace.continuous.SubspaceContinuous method) samples_random() (baybe.searchspace.continuous.SubspaceContinuous method) sampling_percentage (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender attribute) scale_model() (in module baybe.surrogates.utils) Scaler (class in baybe.scaler) 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 attribute) SequentialGreedyRecommender (class in 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_extra_state() (baybe.acquisition.AdapterModel method) set_random_seed() (in module baybe.utils.basic) set_X_pending() (baybe.acquisition.PartialAcquisitionFunction method) setup_acquisition_function() (baybe.recommenders.pure.bayesian.base.BayesianRecommender method) (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender method) share_memory() (baybe.acquisition.AdapterModel method) simulate_experiment() (in module baybe.simulation) simulate_scenarios() (in module baybe.simulation) simulate_transfer_learning() (in module baybe.simulation) 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) state_dict() (baybe.acquisition.AdapterModel method) strategy (baybe.campaign.Campaign attribute) StreamingSequentialMetaRecommender (class in baybe.recommenders.meta.sequential) strtobool() (in module baybe.utils.boolean) structure_recommender_protocol() (in module baybe.recommenders.deprecation) SUBCLASSES (baybe.scaler.DefaultScaler attribute) (baybe.scaler.Scaler attribute) SubSelectionCondition (class in baybe.constraints.conditions) subset_output() (baybe.acquisition.AdapterModel method) SubspaceContinuous (class in baybe.searchspace.continuous) SubspaceDiscrete (class in baybe.searchspace.discrete) SubstanceEncoding (class in baybe.parameters.enum) SubstanceParameter (class in baybe.parameters.substance) summary() (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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.numerical.NumericalTarget method) supports_transfer_learning (baybe.surrogates.base.Surrogate attribute) (baybe.surrogates.custom.CustomONNXSurrogate attribute) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate attribute) (baybe.surrogates.naive.MeanPredictionSurrogate attribute) Surrogate (class in baybe.surrogates.base) surrogate_model (baybe.recommenders.pure.bayesian.base.BayesianRecommender attribute) (baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender attribute) switch_after (baybe.recommenders.meta.sequential.TwoPhaseMetaRecommender attribute) T Target (class in baybe.targets.base) target_value (baybe.surrogates.naive.MeanPredictionSurrogate attribute) TargetMode (class in baybe.targets.enum) targets (baybe.campaign.Campaign property) (baybe.objective.Objective attribute) 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) threshold (baybe.constraints.conditions.ThresholdCondition attribute) ThresholdCondition (class in baybe.constraints.conditions) to() (baybe.acquisition.AdapterModel method) to_botorch() (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint method) to_dict() (baybe.campaign.Campaign method) (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.conditions.Condition method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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.objective.Objective 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.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.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.targets.base.Target method) (baybe.targets.numerical.NumericalTarget method) (baybe.utils.interval.Interval method) to_empty() (baybe.acquisition.AdapterModel method) to_json() (baybe.campaign.Campaign method) (baybe.constraints.base.Constraint method) (baybe.constraints.base.ContinuousConstraint method) (baybe.constraints.base.DiscreteConstraint method) (baybe.constraints.conditions.Condition method) (baybe.constraints.conditions.SubSelectionCondition method) (baybe.constraints.conditions.ThresholdCondition method) (baybe.constraints.continuous.ContinuousLinearEqualityConstraint method) (baybe.constraints.continuous.ContinuousLinearInequalityConstraint 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.objective.Objective 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.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.base.Surrogate method) (baybe.surrogates.custom.CustomONNXSurrogate method) (baybe.surrogates.gaussian_process.GaussianProcessSurrogate method) (baybe.surrogates.naive.MeanPredictionSurrogate method) (baybe.targets.base.Target method) (baybe.targets.numerical.NumericalTarget method) (baybe.utils.interval.Interval method) to_ndarray() (baybe.utils.interval.Interval method) to_tensor() (baybe.utils.interval.Interval method) (in module baybe.utils.dataframe) to_tuple() (baybe.utils.interval.Interval method) tolerance (baybe.constraints.conditions.ThresholdCondition attribute) (baybe.parameters.numerical.NumericalDiscreteParameter attribute) train() (baybe.acquisition.AdapterModel method) transform() (baybe.objective.Objective method) (baybe.scaler.DefaultScaler method) (baybe.scaler.Scaler method) (baybe.searchspace.continuous.SubspaceContinuous method) (baybe.searchspace.core.SearchSpace method) (baybe.searchspace.discrete.SubspaceDiscrete method) (baybe.targets.base.Target method) (baybe.targets.numerical.NumericalTarget method) transform_inputs() (baybe.acquisition.AdapterModel method) transform_rep_exp2comp() (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) 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.scaler.DefaultScaler attribute) (baybe.scaler.Scaler attribute) (baybe.searchspace.core.SearchSpace property) type() (baybe.acquisition.AdapterModel method) U unstructure_base() (in module baybe.serialization.core) untransform() (baybe.scaler.DefaultScaler method) (baybe.scaler.Scaler method) upper (baybe.utils.interval.Interval attribute) use_fallback_constructor_hook() (in module baybe.utils.interval) V 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_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) W weights (baybe.objective.Objective attribute) X xpu() (baybe.acquisition.AdapterModel method) Z zero_grad() (baybe.acquisition.AdapterModel method)