.gitignore
.travis.yml
LICENSE
Makefile
README.md
requirements.txt
setup.py
test_requirements.txt
docs/acknowledgments.md
docs/contributing.md
docs/diagram-workflow.png
docs/installation.md
docs/overview.md
docs/related.md
docs/tutorial.ipynb
examples/mini_demo_learning_curve_friedman1979.ipynb
examples/mini_demo_learning_curve_panel.ipynb
examples/mini_demo_optimization_trajectories.ipynb
examples/mini_demo_watercolor_pigments2019.ipynb
examples/potentials.ipynb
examples/solids.ipynb
requirements/all.txt
requirements/lolo.txt
requirements/minimal.txt
requirements/optional.txt
requirements/regular.txt
requirements/tests.txt
scripts/validate-version-bump.sh
smlb/__init__.py
smlb.egg-info/PKG-INFO
smlb.egg-info/SOURCES.txt
smlb.egg-info/dependency_links.txt
smlb.egg-info/requires.txt
smlb.egg-info/top_level.txt
smlb/core/__init__.py
smlb/core/data.py
smlb/core/distributions.py
smlb/core/evaluations.py
smlb/core/exceptions.py
smlb/core/features.py
smlb/core/java.py
smlb/core/learners.py
smlb/core/metrics.py
smlb/core/noise.py
smlb/core/object.py
smlb/core/optimizer.py
smlb/core/parameters.py
smlb/core/physchem.py
smlb/core/plots.py
smlb/core/random.py
smlb/core/sampling.py
smlb/core/scorer.py
smlb/core/tabular_data.py
smlb/core/transformations.py
smlb/core/utility.py
smlb/core/vector_space_data.py
smlb/core/workflow.py
smlb/datasets/__init__.py
smlb/datasets/experimental/__init__.py
smlb/datasets/experimental/band_gaps_sc73/__init__.py
smlb/datasets/experimental/band_gaps_sc73/band_gap_jpcrd_transformed-pif-onlyRef.json.zip
smlb/datasets/experimental/band_gaps_sc73/band_gaps_sc73.py
smlb/datasets/experimental/clean_energy_project/__init__.py
smlb/datasets/experimental/clean_energy_project/clean_energy_project.py
smlb/datasets/experimental/ni_superalloys/Ni_superalloy.py
smlb/datasets/experimental/ni_superalloys/__init__.py
smlb/datasets/experimental/ni_superalloys/ni_superalloys_3.json.zip
smlb/datasets/experimental/qm9_ramakrishnan_etal14/__init__.py
smlb/datasets/experimental/qm9_ramakrishnan_etal14/qm9_ramakrishnan_etal14.py
smlb/datasets/experimental/qm9_ramakrishnan_etal14/uncharacterized.txt
smlb/datasets/experimental/superconductors_citrine16/__init__.py
smlb/datasets/experimental/superconductors_citrine16/superconductors_citrine16.py
smlb/datasets/experimental/superconductors_citrine16/superconductors_transformed.csv
smlb/datasets/experimental/watercolor_pigments_c19/NTU_WPSM_dataset.zip
smlb/datasets/experimental/watercolor_pigments_c19/__init__.py
smlb/datasets/experimental/watercolor_pigments_c19/watercolor_pigments_c19.py
smlb/datasets/synthetic/__init__.py
smlb/datasets/synthetic/friedman_1979/__init__.py
smlb/datasets/synthetic/friedman_1979/friedman_1979.py
smlb/datasets/synthetic/friedman_silverman_1989/__init__.py
smlb/datasets/synthetic/friedman_silverman_1989/friedman_silverman_1989.py
smlb/datasets/synthetic/morse_potential/__init__.py
smlb/datasets/synthetic/morse_potential/morse_potential.py
smlb/datasets/synthetic/schwefel26_1981/__init__.py
smlb/datasets/synthetic/schwefel26_1981/schwefel26_1981.py
smlb/features/__init__.py
smlb/features/chemistry_development_kit_molecules.py
smlb/features/matminer_composition.py
smlb/learners/__init__.py
smlb/learners/identity_learner.py
smlb/learners/lolo/__init__.py
smlb/learners/lolo/random_forest_regression_lolo.py
smlb/learners/scikit_learn/__init__.py
smlb/learners/scikit_learn/extremely_randomized_trees_regression_sklearn.py
smlb/learners/scikit_learn/gaussian_process_regression_sklearn.py
smlb/learners/scikit_learn/gradient_boosted_trees_regression_sklearn.py
smlb/learners/scikit_learn/random_forest_regression_sklearn.py
smlb/optimizers/__init__.py
smlb/optimizers/random_optimizer.py
smlb/optimizers/rook_design.py
smlb/optimizers/scipy/__init__.py
smlb/optimizers/scipy/global_optimizers.py
smlb/workflows/__init__.py
smlb/workflows/learning_curve_regression.py
smlb/workflows/optimization_trajectory_comparison.py
tests/core/test_data.py
tests/core/test_distributions.py
tests/core/test_metrics.py
tests/core/test_noise.py
tests/core/test_object.py
tests/core/test_optimizers.py
tests/core/test_parameters.py
tests/core/test_physchem.py
tests/core/test_plots.py
tests/core/test_random.py
tests/core/test_sampling.py
tests/core/test_scorers.py
tests/core/test_tabular_data.py
tests/core/test_transformations.py
tests/core/test_utility.py
tests/core/test_vector_space_data.py
tests/datasets/experimental/test_clean_energy_project_dataset.py
tests/datasets/experimental/test_ni_superalloy.py
tests/datasets/experimental/test_qm9_ramakrishnan_etal14_dataset.py
tests/datasets/experimental/test_qm9_ramakrishnan_etal14_dataset.zip
tests/datasets/experimental/test_strehlow_cook.py
tests/datasets/experimental/test_superconductors_citrine16.py
tests/datasets/experimental/test_watercolor_pigments_2019_data.py
tests/datasets/synthetic/test_friedman_1979.py
tests/datasets/synthetic/test_friedman_silverman_1989.py
tests/datasets/synthetic/test_morse_potential.py
tests/datasets/synthetic/test_schwefel26_1981.py
tests/features/test_features_chemistry_development_kit_molecules.py
tests/features/test_features_matminer_composition.py
tests/learners/lolo/test_random_forest_regression_lolo.py
tests/learners/scikit_learn/test_extremely_randomized_trees_regression_sklearn.py
tests/learners/scikit_learn/test_gpr_skl.py
tests/learners/scikit_learn/test_gradient_boosting_trees_regression_sklearn.py
tests/learners/scikit_learn/test_random_forest_regression_sklearn.py
tests/optimizers/test_rook_design.py
tests/optimizers/test_scipy_global_optimizers.py
tests/workflows/test_learning_curve_workflow.py
tests/workflows/test_optimization_workflow.py