Hide navigation sidebar

Hide table of contents sidebar

Skip to content

Toggle site navigation sidebar

BayBE documentation

Toggle table of contents sidebar

General

Readme
Contribute
Known Issues
Changelog
Github
Contributors
License

Package

baybe
Toggle navigation of baybe
- baybe.acquisition
  Toggle navigation of baybe.acquisition
- 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
    - ContinuousLinearEqualityConstraint
    - ContinuousLinearInequalityConstraint
  - baybe.constraints.discrete
    Toggle navigation of baybe.constraints.discrete
  - baybe.constraints.validation
    Toggle navigation of baybe.constraints.validation
    - baybe.constraints.validation.validate_constraints
- baybe.exceptions
  Toggle navigation of baybe.exceptions
- baybe.objective
  Toggle navigation of baybe.objective
  - Objective
- 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.validation
    Toggle navigation of baybe.parameters.validation
- baybe.recommenders
  Toggle navigation of baybe.recommenders
  - baybe.recommenders.base
    Toggle navigation of baybe.recommenders.base
    - RecommenderProtocol
  - baybe.recommenders.deprecation
    Toggle navigation of baybe.recommenders.deprecation
    - baybe.recommenders.deprecation.structure_recommender_protocol
  - 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.sequential_greedy
        Toggle navigation of 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.scaler
  Toggle navigation of baybe.scaler
  - DefaultScaler
  - Scaler
- 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.searchspace.validation.validate_parameter_names
    - baybe.searchspace.validation.validate_parameters
- 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.strategies
- baybe.surrogates
  Toggle navigation of baybe.surrogates
  - baybe.surrogates.base
    Toggle navigation of baybe.surrogates.base
    - baybe.surrogates.base.get_available_surrogates
    - Surrogate
  - 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
    - GaussianProcessSurrogate
  - baybe.surrogates.linear
  - baybe.surrogates.naive
    Toggle navigation of baybe.surrogates.naive
    - MeanPredictionSurrogate
  - baybe.surrogates.ngboost
  - baybe.surrogates.random_forest
  - 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.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.basic
    Toggle navigation of baybe.utils.basic
  - baybe.utils.boolean
    Toggle navigation of baybe.utils.boolean
  - baybe.utils.botorch_wrapper
    Toggle navigation of baybe.utils.botorch_wrapper
    - baybe.utils.botorch_wrapper.botorch_function_wrapper
  - baybe.utils.chemistry
    Toggle navigation of baybe.utils.chemistry
  - baybe.utils.dataframe
    Toggle navigation of baybe.utils.dataframe
  - baybe.utils.interval
    Toggle navigation of baybe.utils.interval
  - baybe.utils.numerical
    Toggle navigation of baybe.utils.numerical
  - baybe.utils.plotting
    Toggle navigation of baybe.utils.plotting
    - baybe.utils.plotting.create_example_plots
  - baybe.utils.sampling_algorithms
    Toggle navigation of baybe.utils.sampling_algorithms
    - baybe.utils.sampling_algorithms.farthest_point_sampling

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
  - Product/Sum
  - Mixture
  - Dependency
  - Exclusion
  - Custom
- 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
- Transfer Learning
  Toggle navigation of Transfer Learning
  - Backtesting
  - Basic Transfer Learning
- Backtesting
  Toggle navigation of Backtesting

Back to top

Toggle table of contents sidebar

baybe.strategies¶

BayBE strategies.

Modules

Made with Sphinx and @pradyunsg's Furo