Hide navigation sidebar

Hide table of contents sidebar

Skip to content

Toggle site navigation sidebar

BayBE documentation

Toggle table of contents sidebar

Version: stable

Documentation

Readme
User Guide
Toggle navigation of User Guide
Examples
Toggle navigation of Examples
- Basics
  Toggle navigation of Basics
  - Campaign
  - Recommenders
- Searchspaces
  Toggle navigation of Searchspaces
- Constraints Discrete
  Toggle navigation of Constraints Discrete
- Constraints Continuous
  Toggle navigation of Constraints Continuous
  - Linear
  - Hybrid Space
- Multi Target
  Toggle navigation of Multi Target
  - Desirability
- Serialization
  Toggle navigation of Serialization
- Custom Surrogates
  Toggle navigation of Custom Surrogates
  - Surrogate Params
  - Custom Pretrained
- Backtesting
  Toggle navigation of Backtesting
- Custom Hooks
  Toggle navigation of Custom Hooks
- Multi Armed Bandit
  Toggle navigation of Multi Armed Bandit
  - Bernoulli Multi Armed Bandit
- Transfer Learning
  Toggle navigation of Transfer Learning
  - Backtesting
  - Basic Transfer Learning
- Mixtures
  Toggle navigation of Mixtures
  - Slot Based
  - Traditional
FAQ

baybe
Toggle navigation of baybe
- baybe.acquisition
  Toggle navigation of baybe.acquisition
  - baybe.acquisition.acqfs
    Toggle navigation of baybe.acquisition.acqfs
  - baybe.acquisition.base
    Toggle navigation of baybe.acquisition.base
    - AcquisitionFunction
  - baybe.acquisition.partial
    Toggle navigation of baybe.acquisition.partial
    - PartialAcquisitionFunction
  - baybe.acquisition.utils
    Toggle navigation of baybe.acquisition.utils
    - baybe.acquisition.utils.convert_acqf
    - baybe.acquisition.utils.str_to_acqf
- baybe.campaign
  Toggle navigation of baybe.campaign
  - Campaign
- baybe.constraints
  Toggle navigation of baybe.constraints
  - baybe.constraints.base
    Toggle navigation of baybe.constraints.base
  - baybe.constraints.conditions
    Toggle navigation of baybe.constraints.conditions
  - baybe.constraints.continuous
    Toggle navigation of baybe.constraints.continuous
    - ContinuousCardinalityConstraint
    - ContinuousLinearConstraint
  - baybe.constraints.deprecation
    Toggle navigation of baybe.constraints.deprecation
  - baybe.constraints.discrete
    Toggle navigation of baybe.constraints.discrete
  - baybe.constraints.validation
    Toggle navigation of baybe.constraints.validation
    - baybe.constraints.validation.validate_cardinality_constraints_are_nonoverlapping
    - baybe.constraints.validation.validate_constraints
- baybe.exceptions
  Toggle navigation of baybe.exceptions
- baybe.insights
  Toggle navigation of baybe.insights
  - baybe.insights.shap
    Toggle navigation of baybe.insights.shap
- baybe.kernels
  Toggle navigation of baybe.kernels
  - baybe.kernels.base
    Toggle navigation of baybe.kernels.base
  - baybe.kernels.basic
    Toggle navigation of baybe.kernels.basic
  - baybe.kernels.composite
    Toggle navigation of baybe.kernels.composite
- baybe.objective
  Toggle navigation of baybe.objective
  - baybe.objective.Objective
- baybe.objectives
  Toggle navigation of baybe.objectives
  - baybe.objectives.base
    Toggle navigation of baybe.objectives.base
    - baybe.objectives.base.to_objective
    - Objective
  - baybe.objectives.deprecation
    Toggle navigation of baybe.objectives.deprecation
    - baybe.objectives.deprecation.structure_objective
  - baybe.objectives.desirability
    Toggle navigation of baybe.objectives.desirability
    - baybe.objectives.desirability.scalarize
    - DesirabilityObjective
  - baybe.objectives.enum
    Toggle navigation of baybe.objectives.enum
    - Scalarizer
  - baybe.objectives.single
    Toggle navigation of baybe.objectives.single
    - SingleTargetObjective
- baybe.parameters
  Toggle navigation of baybe.parameters
  - baybe.parameters.base
    Toggle navigation of baybe.parameters.base
  - baybe.parameters.categorical
    Toggle navigation of baybe.parameters.categorical
    - CategoricalParameter
    - TaskParameter
  - baybe.parameters.custom
    Toggle navigation of baybe.parameters.custom
    - CustomDiscreteParameter
  - baybe.parameters.enum
    Toggle navigation of baybe.parameters.enum
  - baybe.parameters.numerical
    Toggle navigation of baybe.parameters.numerical
    - NumericalContinuousParameter
    - NumericalDiscreteParameter
  - baybe.parameters.substance
    Toggle navigation of baybe.parameters.substance
    - baybe.parameters.substance.Smiles
    - SubstanceParameter
  - baybe.parameters.utils
    Toggle navigation of baybe.parameters.utils
    - baybe.parameters.utils.get_parameters_from_dataframe
    - baybe.parameters.utils.sort_parameters
  - baybe.parameters.validation
    Toggle navigation of baybe.parameters.validation
- baybe.priors
  Toggle navigation of baybe.priors
  - baybe.priors.base
    Toggle navigation of baybe.priors.base
    - Prior
  - baybe.priors.basic
    Toggle navigation of baybe.priors.basic
- baybe.recommenders
  Toggle navigation of baybe.recommenders
  - baybe.recommenders.base
    Toggle navigation of baybe.recommenders.base
    - RecommenderProtocol
  - baybe.recommenders.meta
    Toggle navigation of baybe.recommenders.meta
    - baybe.recommenders.meta.base
      Toggle navigation of baybe.recommenders.meta.base
      - MetaRecommender
    - baybe.recommenders.meta.sequential
      Toggle navigation of baybe.recommenders.meta.sequential
  - baybe.recommenders.naive
    Toggle navigation of baybe.recommenders.naive
    - NaiveHybridSpaceRecommender
  - baybe.recommenders.pure
    Toggle navigation of baybe.recommenders.pure
    - baybe.recommenders.pure.base
      Toggle navigation of baybe.recommenders.pure.base
      - PureRecommender
    - baybe.recommenders.pure.bayesian
      Toggle navigation of baybe.recommenders.pure.bayesian
      - baybe.recommenders.pure.bayesian.base
        Toggle navigation of baybe.recommenders.pure.bayesian.base
        
        BayesianRecommender
      - baybe.recommenders.pure.bayesian.botorch
        Toggle navigation of baybe.recommenders.pure.bayesian.botorch
        
        BotorchRecommender
      - baybe.recommenders.pure.bayesian.sequential_greedy
        Toggle navigation of baybe.recommenders.pure.bayesian.sequential_greedy
        
        baybe.recommenders.pure.bayesian.sequential_greedy.SequentialGreedyRecommender
    - baybe.recommenders.pure.nonpredictive
      Toggle navigation of baybe.recommenders.pure.nonpredictive
      - baybe.recommenders.pure.nonpredictive.base
        Toggle navigation of baybe.recommenders.pure.nonpredictive.base
        
        NonPredictiveRecommender
      - baybe.recommenders.pure.nonpredictive.clustering
        Toggle navigation of baybe.recommenders.pure.nonpredictive.clustering
        
        GaussianMixtureClusteringRecommender
        
        KMeansClusteringRecommender
        
        PAMClusteringRecommender
        
        SKLearnClusteringRecommender
      - baybe.recommenders.pure.nonpredictive.sampling
        Toggle navigation of baybe.recommenders.pure.nonpredictive.sampling
        
        FPSRecommender
        
        RandomRecommender
- baybe.searchspace
  Toggle navigation of baybe.searchspace
  - baybe.searchspace.continuous
    Toggle navigation of baybe.searchspace.continuous
    - SubspaceContinuous
  - baybe.searchspace.core
    Toggle navigation of baybe.searchspace.core
  - baybe.searchspace.discrete
    Toggle navigation of baybe.searchspace.discrete
  - baybe.searchspace.validation
    Toggle navigation of baybe.searchspace.validation
- baybe.serialization
  Toggle navigation of baybe.serialization
  - baybe.serialization.core
    Toggle navigation of baybe.serialization.core
  - baybe.serialization.mixin
    Toggle navigation of baybe.serialization.mixin
    - SerialMixin
  - baybe.serialization.utils
    Toggle navigation of baybe.serialization.utils
    - baybe.serialization.utils.deserialize_dataframe
    - baybe.serialization.utils.serialize_dataframe
- baybe.simulation
  Toggle navigation of baybe.simulation
  - baybe.simulation.core
    Toggle navigation of baybe.simulation.core
    - baybe.simulation.core.simulate_experiment
  - baybe.simulation.lookup
    Toggle navigation of baybe.simulation.lookup
    - baybe.simulation.lookup.look_up_targets
  - baybe.simulation.scenarios
    Toggle navigation of baybe.simulation.scenarios
    - baybe.simulation.scenarios.simulate_scenarios
  - baybe.simulation.transfer_learning
    Toggle navigation of baybe.simulation.transfer_learning
    - baybe.simulation.transfer_learning.simulate_transfer_learning
- baybe.surrogates
  Toggle navigation of baybe.surrogates
  - baybe.surrogates.bandit
    Toggle navigation of baybe.surrogates.bandit
    - BetaBernoulliMultiArmedBanditSurrogate
  - baybe.surrogates.base
    Toggle navigation of baybe.surrogates.base
  - baybe.surrogates.custom
    Toggle navigation of baybe.surrogates.custom
    - baybe.surrogates.custom.register_custom_architecture
    - CustomONNXSurrogate
  - baybe.surrogates.gaussian_process
    Toggle navigation of baybe.surrogates.gaussian_process
    - baybe.surrogates.gaussian_process.core
      Toggle navigation of baybe.surrogates.gaussian_process.core
      - GaussianProcessSurrogate
    - baybe.surrogates.gaussian_process.kernel_factory
      Toggle navigation of baybe.surrogates.gaussian_process.kernel_factory
    - baybe.surrogates.gaussian_process.presets
      Toggle navigation of baybe.surrogates.gaussian_process.presets
      - baybe.surrogates.gaussian_process.presets.core
        Toggle navigation of baybe.surrogates.gaussian_process.presets.core
        
        baybe.surrogates.gaussian_process.presets.core.make_gp_from_preset
        
        GaussianProcessPreset
      - baybe.surrogates.gaussian_process.presets.default
        Toggle navigation of baybe.surrogates.gaussian_process.presets.default
        
        DefaultKernelFactory
      - baybe.surrogates.gaussian_process.presets.edbo
        Toggle navigation of baybe.surrogates.gaussian_process.presets.edbo
        
        EDBOKernelFactory
  - baybe.surrogates.linear
    Toggle navigation of baybe.surrogates.linear
    - BayesianLinearSurrogate
  - baybe.surrogates.naive
    Toggle navigation of baybe.surrogates.naive
    - MeanPredictionSurrogate
  - baybe.surrogates.ngboost
    Toggle navigation of baybe.surrogates.ngboost
    - NGBoostSurrogate
  - baybe.surrogates.random_forest
    Toggle navigation of baybe.surrogates.random_forest
    - RandomForestSurrogate
  - baybe.surrogates.utils
    Toggle navigation of baybe.surrogates.utils
  - baybe.surrogates.validation
    Toggle navigation of baybe.surrogates.validation
    - baybe.surrogates.validation.get_model_params_validator
    - baybe.surrogates.validation.validate_custom_architecture_cls
- baybe.targets
  Toggle navigation of baybe.targets
  - baybe.targets.base
    Toggle navigation of baybe.targets.base
    - Target
  - baybe.targets.binary
    Toggle navigation of baybe.targets.binary
    - baybe.targets.binary.ChoiceValue
    - BinaryTarget
  - baybe.targets.enum
    Toggle navigation of baybe.targets.enum
    - TargetMode
    - TargetTransformation
  - baybe.targets.numerical
    Toggle navigation of baybe.targets.numerical
    - NumericalTarget
  - baybe.targets.transforms
    Toggle navigation of baybe.targets.transforms
- baybe.telemetry
  Toggle navigation of baybe.telemetry
- baybe.utils
  Toggle navigation of baybe.utils
  - baybe.utils.augmentation
    Toggle navigation of baybe.utils.augmentation
    - baybe.utils.augmentation.df_apply_dependency_augmentation
    - baybe.utils.augmentation.df_apply_permutation_augmentation
  - baybe.utils.basic
    Toggle navigation of baybe.utils.basic
  - baybe.utils.boolean
    Toggle navigation of baybe.utils.boolean
  - baybe.utils.chemistry
    Toggle navigation of baybe.utils.chemistry
  - baybe.utils.conversion
    Toggle navigation of baybe.utils.conversion
    - baybe.utils.conversion.fraction_to_float
    - baybe.utils.conversion.nonstring_to_tuple
  - baybe.utils.dataframe
    Toggle navigation of baybe.utils.dataframe
  - baybe.utils.interval
    Toggle navigation of baybe.utils.interval
  - baybe.utils.memory
    Toggle navigation of baybe.utils.memory
    - baybe.utils.memory.bytes_to_human_readable
  - baybe.utils.numerical
    Toggle navigation of baybe.utils.numerical
  - baybe.utils.plotting
    Toggle navigation of baybe.utils.plotting
  - baybe.utils.random
    Toggle navigation of baybe.utils.random
    - baybe.utils.random.set_random_seed
    - baybe.utils.random.temporary_seed
  - baybe.utils.sampling_algorithms
    Toggle navigation of baybe.utils.sampling_algorithms
  - baybe.utils.scaling
    Toggle navigation of baybe.utils.scaling
    - ColumnTransformer
  - baybe.utils.torch
    Toggle navigation of baybe.utils.torch
    - baybe.utils.torch.VARNAME_TORCH_USE_SINGLE_PRECISION
    - baybe.utils.torch.DTypeFloatTorch
  - baybe.utils.validation
    Toggle navigation of baybe.utils.validation

Misc

Contribute
Contributors
Known Issues
Changelog
Github
License

Toggle table of contents sidebar

baybe.utils.basic.UNSPECIFIED¶

baybe.utils.basic.UNSPECIFIED = UNSPECIFIED¶: Sentinel indicating an unspecified value when None is ambiguous.

baybe.utils.basic.find_subclass

baybe.utils.basic

Copyright © 2022-2025 Merck KGaA, Darmstadt, Germany and/or its affiliates. All rights reserved.

Made with Sphinx and @pradyunsg's Furo

On this page

baybe.utils.basic.UNSPECIFIED
- UNSPECIFIED