bofire
Experimental design and (multi-objective) bayesian optimization.
File Explorer
Download Latest Version (.zip)- bug_report.yml
- config.yml
- feature_request.yml
- lint.yaml
- publish.yaml
- quarto-docs.yaml
- test.yaml
- PULL_REQUEST_TEMPLATE.md
- __init__.py
- aniline_cn_crosscoupling.py
- octane.csv
- octane_number.py
- photoswitches.py
- __init__.py
- api.py
- benchmark.py
- detergent.py
- hyperopt.py
- LookupTableBenchmark.py
- multi.py
- single.py
- svm.py
- __init__.py
- acquisition_function.py
- api.py
- __init__.py
- api.py
- categorical.py
- condition.py
- constraint.py
- interpoint.py
- linear.py
- nchoosek.py
- nonlinear.py
- product.py
- __init__.py
- api.py
- dataframes.py
- __init__.py
- api.py
- generators.py
- names.py
- __init__.py
- api.py
- constraints.py
- domain.py
- features.py
- __init__.py
- api.py
- descriptors.py
- encoding.py
- naming.py
- onehot.py
- ordinal.py
- __init__.py
- _descriptor_spec.py
- _register.py
- api.py
- categorical.py
- continuous.py
- descriptors.py
- discrete.py
- engineered_feature.py
- feature.py
- numerical.py
- task.py
- __init__.py
- _register.py
- aggregation.py
- api.py
- categorical.py
- conditional.py
- continuous.py
- fidelity.py
- kernel.py
- molecular.py
- shape.py
- __init__.py
- _register.py
- api.py
- provider.py
- __init__.py
- api.py
- categorical.py
- desirabilities.py
- identity.py
- objective.py
- sigmoid.py
- target.py
- __init__.py
- _register.py
- api.py
- constraint.py
- gamma.py
- interval.py
- lkj.py
- normal.py
- prior.py
- smoothedbox.py
- __init__.py
- _register.py
- api.py
- convergence_criterion.py
- hypervolume_improvement.py
- objective_improvement.py
- proposal_deviation.py
- __init__.py
- acqf_optimization.py
- active_learning.py
- botorch.py
- enting.py
- mobo.py
- multi_fidelity.py
- multi_fidelity_knowledge_gradient.py
- multiobjective.py
- predictive.py
- qparego.py
- sobo.py
- __init__.py
- conditions.py
- stepwise.py
- __init__.py
- _register.py
- actual_strategy_type.py
- api.py
- doe.py
- factorial.py
- fractional_factorial.py
- llm.py
- meta_strategy_type.py
- random.py
- shortest_path.py
- strategy.py
- __init__.py
- api.py
- bnn.py
- botorch.py
- botorch_surrogates.py
- deterministic.py
- empirical.py
- fully_bayesian.py
- linear.py
- map_saas.py
- mixed_single_task_gp.py
- mlp.py
- multi_task_gp.py
- pairwise_gp.py
- polynomial.py
- random_forest.py
- robust_single_task_gp.py
- scaler.py
- single_task_gp.py
- surrogate.py
- tanimoto_gp.py
- trainable.py
- trainable_botorch.py
- __init__.py
- api.py
- drop_data.py
- manipulate_data.py
- transform.py
- __init__.py
- _register_utils.py
- api.py
- base.py
- enum.py
- filters.py
- types.py
- unions.py
- base_fingerprint_kernel.py
- tanimoto_kernel.py
- __init__.py
- aggregation.py
- api.py
- conditional.py
- mapper.py
- shape.py
- spherical_kernels.py
- __init__.py
- api.py
- mapper.py
- __init__.py
- api.py
- cv_folds.py
- duplicates.py
- feature_importance.py
- gp_slice.py
- objective.py
- prior.py
- __init__.py
- api.py
- mapper.py
- __init__.py
- api.py
- hyperoptimize.py
- run.py
- __init__.py
- api.py
- hypervolume_improvement.py
- mapper.py
- objective_improvement.py
- proposal_deviation.py
- __init__.py
- candidate.py
- values.py
- __init__.py
- design.py
- doe_problem.py
- objective.py
- objective_base.py
- transform.py
- utils.py
- utils_categorical_discrete.py
- __init__.py
- _nchoosek_pruning.py
- acqf_optimization.py
- active_learning.py
- botorch.py
- enting.py
- mobo.py
- multi_fidelity.py
- multi_fidelity_knowledge_gradient.py
- predictive.py
- qparego.py
- sobo.py
- __init__.py
- stepwise.py
- __init__.py
- api.py
- doe_strategy.py
- factorial.py
- fractional_factorial.py
- llm.py
- mapper.py
- mapper_actual.py
- mapper_meta.py
- random.py
- shortest_path.py
- strategy.py
- utils.py
- __init__.py
- api.py
- botorch.py
- botorch_surrogates.py
- cloudpickle_module.py
- deterministic.py
- diagnostics.py
- empirical.py
- engineered_features.py
- feature_importance.py
- fully_bayesian.py
- map_saas.py
- mapper.py
- mlp.py
- multi_task_gp.py
- pairwise_gp.py
- pairwise_trainable.py
- random_forest.py
- robust_single_task_gp.py
- single_task_gp.py
- surrogate.py
- tanimoto_gp_surrogate.py
- trainable.py
- utils.py
- values.py
- __init__.py
- api.py
- drop_data.py
- manipulate_data.py
- transform.py
- __init__.py
- cheminformatics.py
- default_fracfac_generators.py
- doe.py
- domain_repair.py
- multiobjective.py
- naming_conventions.py
- reduce.py
- subdomain.py
- tmpfile.py
- torch_tools.py
- __init__.py
- protocols.py
- pruning_c4_convergence.png
- mathjax.js
- conditional_features_bo.qmd
- custom_sobo.qmd
- desirability_objectives.qmd
- genetic_algorithm.qmd
- index.qmd
- llm_molecular.qmd
- merging_objectives.qmd
- multifidelity_bo.qmd
- multioutput_multifidelity_bo.qmd
- objectives_on_inputs.qmd
- octane_number.qmd
- pairwise_gp.qmd
- random_forest_in_bofire.qmd
- transfer_learning_bo.qmd
- basic_terminology.qmd
- index.qmd
- index_kernel.qmd
- Model_Fitting_and_analysis.qmd
- Outlier_Detection_and_Robust_GP.qmd
- pareto_front_estimation.qmd
- Reaction_Optimization_Example.qmd
- Unknown_Constraint_Classification.qmd
- 001-Himmelblau.qmd
- 002-DTLZ2.qmd
- 003-Hartmann_with_nchoosek.qmd
- 004-30dimBranin.qmd
- 006-Bayesian_optimization_over_molecules.qmd
- 007-LSRBO.qmd
- 008-ZDT1.qmd
- 009-BNH.qmd
- 010-TNK.qmd
- 011-ActiveLearning.qmd
- 012-engineered_features.qmd
- 013-spherical_kernel.qmd
- index.qmd
- basic_examples.qmd
- candidate_goodness_and_experiments.qmd
- design_with_explicit_formula.qmd
- fractional_factorial.qmd
- index.qmd
- nchoosek_constraint.qmd
- optimality_criteria.qmd
- index.qmd
- models_serial.qmd
- strategies_serial.qmd
- custom_types.qmd
- data_models_functionals.qmd
- domain.qmd
- strategies.qmd
- surrogates.qmd
- pruning.md
- README.md
- bofire-icon.png
- bofire-long.png
- bofire.png
- himmelblau.png
- himmelblau_optimization.gif
- bofire_theme.mp3
- __init__.py
- test_benchmark.py
- test_detergent.py
- test_hyperopt.py
- test_LookupTable_benchmark.py
- test_multi.py
- test_single.py
- __init__.py
- test_categorical.py
- test_constraint_fulfillment.py
- test_linear.py
- test_nchoosek.py
- test_nonlinear.py
- test_product.py
- __init__.py
- test_dataframes.py
- __init__.py
- test_constraints.py
- test_domain.py
- test_domain_validators.py
- test_engineered_features.py
- test_features.py
- test_inputs.py
- test_outputs.py
- __init__.py
- test_defaults.py
- test_descriptors.py
- test_onehot.py
- test_ordinal.py
- __init__.py
- test_categorical.py
- test_continuous.py
- test_descriptors.py
- test_discrete.py
- test_engineered_feature.py
- test_feature.py
- test_task.py
- __init__.py
- test_deserialization.py
- test_schema.py
- test_serialization.py
- __init__.py
- acquisition_functions.py
- api.py
- conditions.py
- constraints.py
- constraints_container.py
- dataframes.py
- descriptor_generators.py
- domain.py
- encodings.py
- engineered_features.py
- features.py
- inputs.py
- kernels.py
- llm.py
- local_search_config.py
- objectives.py
- outputs.py
- prior_constraints.py
- priors.py
- specs.py
- strategies.py
- surrogates.py
- transforms.py
- __init__.py
- test_acqf_optimization.py
- test_botorch.py
- test_mobo.py
- __init__.py
- __init__.py
- test_base.py
- test_descriptor_generators.py
- test_documentation.py
- test_filters.py
- test_invalid.py
- test_types.py
- test_unions.py
- __init__.py
- test_aggregation.py
- test_conditional.py
- test_mapper.py
- test_shape.py
- __init__.py
- test_mapper.py
- test_plot_cv_folds.py
- test_plot_duplicates.py
- test_plot_feature_importance.py
- test_plot_gp_slice.py
- test_plot_objective.py
- test_plot_prior.py
- test_mapper.py
- __init__.py
- test_hyperoptimize.py
- test_run.py
- __init__.py
- test_design.py
- test_doe_problem.py
- test_objective.py
- test_transform.py
- test_utils.py
- test_utils_categorical_discrete.py
- __init__.py
- test_conditions.py
- test_drop_data_transfrom.py
- test_manipulate_data_transform.py
- test_stepwise.py
- __init__.py
- conftest.py
- dummy.py
- specs.py
- test_acqf_optimization.py
- test_active_learning.py
- test_convergence.py
- test_doe.py
- test_enting.py
- test_factorial.py
- test_fractional_factorial.py
- test_from_data_model.py
- test_llm.py
- test_make_strategy.py
- test_mobo.py
- test_model_specs_generator.py
- test_multi_fidelity.py
- test_multi_fidelity_knowledge_gradient.py
- test_multitask.py
- test_nchoosek_pruning.py
- test_optimizer.py
- test_qparego.py
- test_random.py
- test_shortest_path.py
- test_sobo.py
- test_space_filling.py
- test_strategy.py
- test_utils.py
- __init__.py
- conftest.py
- test_cross_validate.py
- test_deterministic.py
- test_diagnostics.py
- test_engineered_features.py
- test_feature_importance.py
- test_from_data_model.py
- test_fully_bayesian.py
- test_gps.py
- test_linear.py
- test_map_saas.py
- test_mlp.py
- test_multitask_gps.py
- test_pairwise_gp.py
- test_polynomial.py
- test_random_forest.py
- test_re_init_kwargs.py
- test_surrogates.py
- test_tanimoto_gp.py
- test_torch_models.py
- test_utils.py
- test_cheminformatics.py
- test_doe.py
- test_domain_repair.py
- test_multiobjective.py
- test_naming_conventions.py
- test_reduce.py
- test_torch_tools.py
- __init__.py
- conftest.py
- test_register.py
- __init__.py
- conftest.py
- .gitignore
- .pre-commit-config.yaml
- _quarto.yml
- CHANGELOG.md
- CLAUDE.md
- CONTRIBUTING.md
- getting_started.qmd
- index.qmd
- install.qmd
- LICENSE
- pyproject.toml
- README.md
- styles.css
- theme-dark.scss
- theme-light.scss
# Installation Guide
1. Get the code
git clone https://github.com/experimental-design/bofire
Downloads the entire project code from GitHub to your computer.
cd bofire
Moves into the project folder you just downloaded.
2. Official Install Script
Easy RecommendedPrerequisites
- Python 3 Python is required to use pip.
pip install bofire[optimization]
Installs the package published on PyPI directly β no need to clone the source.
After installing, open a new terminal and run the program's version command (e.g. --version) to confirm it worked.
Pulled directly from this repo's README.
3. Python
EasyPrerequisites
pip install bofire[optimization]
Installs the package published on PyPI directly β no need to clone the source.
If it runs without errors and prints output in the terminal, it worked.
Pulled directly from this repo's README.
// repository documentation
Was this content helpful?
(0 ratings)