MANIFEST.in
README.md
requirements.txt
setup.py
CatLearn.egg-info/PKG-INFO
CatLearn.egg-info/SOURCES.txt
CatLearn.egg-info/dependency_links.txt
CatLearn.egg-info/requires.txt
CatLearn.egg-info/top_level.txt
catlearn/__init__.py
catlearn/active_learning/__init__.py
catlearn/active_learning/acquisition_functions.py
catlearn/active_learning/algorithm.py
catlearn/api/__init__.py
catlearn/api/ase_atoms_api.py
catlearn/api/ase_data_setup.py
catlearn/api/catmap.py
catlearn/api/networkx_graph_api.py
catlearn/api/magpie/Magpie.jar
catlearn/api/magpie/exes/voroExt.exe
catlearn/api/magpie/exes/voroExt_MACOS.exe
catlearn/api/magpie/exes/voroExt_windows.exe
catlearn/api/magpie/lookup-data/Abbreviation.table
catlearn/api/magpie/lookup-data/AtomicVolume.table
catlearn/api/magpie/lookup-data/AtomicWeight.table
catlearn/api/magpie/lookup-data/BoilingT.table
catlearn/api/magpie/lookup-data/BoilingTemp.table
catlearn/api/magpie/lookup-data/BulkModulus.table
catlearn/api/magpie/lookup-data/Column.table
catlearn/api/magpie/lookup-data/CovalentRadius.table
catlearn/api/magpie/lookup-data/Density.table
catlearn/api/magpie/lookup-data/DipolePolarizability.table
catlearn/api/magpie/lookup-data/ElectronAffinity.table
catlearn/api/magpie/lookup-data/Electronegativity.table
catlearn/api/magpie/lookup-data/FirstIonizationEnergy.table
catlearn/api/magpie/lookup-data/FusionEnthalpy.table
catlearn/api/magpie/lookup-data/GSbandgap.table
catlearn/api/magpie/lookup-data/GSenergy_pa.table
catlearn/api/magpie/lookup-data/GSestBCClatcnt.table
catlearn/api/magpie/lookup-data/GSestFCClatcnt.table
catlearn/api/magpie/lookup-data/GSmagmom.table
catlearn/api/magpie/lookup-data/GSvolume_pa.table
catlearn/api/magpie/lookup-data/HHIp.table
catlearn/api/magpie/lookup-data/HHIr.table
catlearn/api/magpie/lookup-data/HeatCapacityMass.table
catlearn/api/magpie/lookup-data/HeatCapacityMolar.table
catlearn/api/magpie/lookup-data/HeatFusion.table
catlearn/api/magpie/lookup-data/ICSDVolume.table
catlearn/api/magpie/lookup-data/IonizationEnergies.table
catlearn/api/magpie/lookup-data/IsAlkali.table
catlearn/api/magpie/lookup-data/IsDBlock.table
catlearn/api/magpie/lookup-data/IsFBlock.table
catlearn/api/magpie/lookup-data/IsMetal.table
catlearn/api/magpie/lookup-data/IsMetalloid.table
catlearn/api/magpie/lookup-data/IsNonmetal.table
catlearn/api/magpie/lookup-data/MeltingT.table
catlearn/api/magpie/lookup-data/MendeleevNumber.table
catlearn/api/magpie/lookup-data/MiracleRadius.table
catlearn/api/magpie/lookup-data/NUnfilled.table
catlearn/api/magpie/lookup-data/NValance.table
catlearn/api/magpie/lookup-data/NdUnfilled.table
catlearn/api/magpie/lookup-data/NdValence.table
catlearn/api/magpie/lookup-data/NfUnfilled.table
catlearn/api/magpie/lookup-data/NfValence.table
catlearn/api/magpie/lookup-data/NpUnfilled.table
catlearn/api/magpie/lookup-data/NpValence.table
catlearn/api/magpie/lookup-data/NsUnfilled.table
catlearn/api/magpie/lookup-data/NsValence.table
catlearn/api/magpie/lookup-data/Number.table
catlearn/api/magpie/lookup-data/OxidationStates.table
catlearn/api/magpie/lookup-data/Polarizability.table
catlearn/api/magpie/lookup-data/README.txt
catlearn/api/magpie/lookup-data/Row.table
catlearn/api/magpie/lookup-data/ShearModulus.table
catlearn/api/magpie/lookup-data/SpaceGroupNumber.table
catlearn/api/magpie/lookup-data/ZungerPP-r_d.table
catlearn/api/magpie/lookup-data/ZungerPP-r_p.table
catlearn/api/magpie/lookup-data/ZungerPP-r_pi.table
catlearn/api/magpie/lookup-data/ZungerPP-r_s.table
catlearn/api/magpie/lookup-data/ZungerPP-r_sigma.table
catlearn/api/magpie/lookup-data/n_ws^third.table
catlearn/api/magpie/lookup-data/phi.table
catlearn/api/magpie/lookup-data/pair/B2BondLength.table
catlearn/api/magpie/lookup-data/pair/B2Volume.table
catlearn/api/magpie/lookup-data/pair/MiedemaLiquidDeltaHf.table
catlearn/api/magpie/lookup-data/pair/README.txt
catlearn/cross_validation/__init__.py
catlearn/cross_validation/hierarchy_cv.py
catlearn/cross_validation/k_fold_cv.py
catlearn/data/proxy-mendeleev.json
catlearn/estimator/__init__.py
catlearn/estimator/general_gp.py
catlearn/estimator/general_kernel.py
catlearn/estimator/general_preprocess.py
catlearn/featurize/__init__.py
catlearn/featurize/adsorbate_prep.py
catlearn/featurize/asap_wrapper.py
catlearn/featurize/base.py
catlearn/featurize/neighbor_matrix.py
catlearn/featurize/periodic_table_data.py
catlearn/featurize/setup.py
catlearn/featurize/slab_utilities.py
catlearn/fingerprint/__init__.py
catlearn/fingerprint/adsorbate.py
catlearn/fingerprint/bulk.py
catlearn/fingerprint/catapp.py
catlearn/fingerprint/chalcogenide.py
catlearn/fingerprint/convoluted.py
catlearn/fingerprint/graph.py
catlearn/fingerprint/molecule.py
catlearn/fingerprint/particle.py
catlearn/fingerprint/prototype.py
catlearn/fingerprint/standard.py
catlearn/fingerprint/voro.py
catlearn/ga/__init__.py
catlearn/ga/algorithm.py
catlearn/ga/convergence.py
catlearn/ga/initialize.py
catlearn/ga/io.py
catlearn/ga/mating.py
catlearn/ga/mutate.py
catlearn/ga/natural_selection.py
catlearn/ga/predictors.py
catlearn/learning_curve/__init__.py
catlearn/learning_curve/data_process.py
catlearn/learning_curve/feature_selection.py
catlearn/learning_curve/learning_curve.py
catlearn/learning_curve/placeholder.py
catlearn/learning_curve/pltfile.py
catlearn/optimize/__init__.py
catlearn/optimize/constraints.py
catlearn/optimize/functions_calc.py
catlearn/optimize/io.py
catlearn/optimize/mlmin.py
catlearn/optimize/mlneb.py
catlearn/optimize/tools.py
catlearn/preprocess/__init__.py
catlearn/preprocess/clean_data.py
catlearn/preprocess/feature_elimination.py
catlearn/preprocess/feature_engineering.py
catlearn/preprocess/feature_extraction.py
catlearn/preprocess/greedy_elimination.py
catlearn/preprocess/importance_testing.py
catlearn/preprocess/scaling.py
catlearn/regression/__init__.py
catlearn/regression/cost_function.py
catlearn/regression/gaussian_process.py
catlearn/regression/ridge_regression.py
catlearn/regression/scikit_wrapper.py
catlearn/regression/gpfunctions/__init__.py
catlearn/regression/gpfunctions/covariance.py
catlearn/regression/gpfunctions/default_scale.py
catlearn/regression/gpfunctions/hyperparameter_scaling.py
catlearn/regression/gpfunctions/io.py
catlearn/regression/gpfunctions/kernel_scaling.py
catlearn/regression/gpfunctions/kernel_setup.py
catlearn/regression/gpfunctions/kernels.py
catlearn/regression/gpfunctions/log_marginal_likelihood.py
catlearn/regression/gpfunctions/sensitivity.py
catlearn/regression/gpfunctions/uncertainty.py
catlearn/utilities/__init__.py
catlearn/utilities/clustering.py
catlearn/utilities/database_functions.py
catlearn/utilities/distribution.py
catlearn/utilities/neighborlist.py
catlearn/utilities/penalty_functions.py
catlearn/utilities/sammon.py
catlearn/utilities/utilities.py
test/test_1_feature_generation.py
test/test_acquisition.py
test/test_ads_fp_gen.py
test/test_api.py
test/test_autocorrelation.py
test/test_bulk_fp_gen.py
test/test_chalcogenides.py
test/test_data_clean.py
test/test_feature_base.py
test/test_feature_optimization.py
test/test_functions.py
test/test_ga.py
test/test_gradients.py
test/test_io.py
test/test_learning_curve.py
test/test_lml_optimizer.py
test/test_mlmin.py
test/test_mlneb.py
test/test_neighborlist.py
test/test_predict.py
test/test_scale.py
test/test_suite.py
test/test_validation.py
test/test_voronoi.py
tutorials/__init__.py
tutorials/test_notebooks.py