User Guide:
Code:
catlearn
catlearn.active_learning
catlearn.active_learning.acquisition_functions
catlearn.active_learning.algorithm
catlearn.api
catlearn.api.ase_atoms_api
catlearn.api.ase_data_setup
catlearn.api.networkx_graph_api
catlearn.cross_validation
catlearn.cross_validation.hierarchy_cv
catlearn.cross_validation.k_fold_cv
catlearn.estimator
catlearn.estimator.general_gp
catlearn.estimator.general_kernel
catlearn.estimator.general_preprocess
catlearn.featurize
catlearn.featurize.adsorbate_prep
catlearn.featurize.base
catlearn.featurize.neighbor_matrix
catlearn.featurize.periodic_table_data
catlearn.featurize.setup
catlearn.featurize.slab_utilities
catlearn.fingerprint
catlearn.fingerprint.adsorbate
catlearn.fingerprint.bulk
catlearn.fingerprint.chalcogenide
catlearn.fingerprint.convoluted
catlearn.fingerprint.graph
catlearn.fingerprint.molecule
catlearn.fingerprint.particle
catlearn.fingerprint.prototype
catlearn.fingerprint.standard
catlearn.fingerprint.voro
catlearn.ga
catlearn.ga.algorithm
catlearn.ga.convergence
catlearn.ga.initialize
catlearn.ga.io
catlearn.ga.mating
catlearn.ga.mutate
catlearn.ga.natural_selection
catlearn.ga.predictors
catlearn.learning_curve
catlearn.learning_curve.data_process
catlearn.learning_curve.feature_selection
catlearn.learning_curve.learning_curve
catlearn.learning_curve.placeholder
catlearn.optimize
catlearn.optimize.constraints
catlearn.optimize.functions_calc
catlearn.optimize.io
catlearn.optimize.mlneb
catlearn.optimize.tools
catlearn.preprocess
catlearn.preprocess.clean_data
catlearn.preprocess.feature_elimination
catlearn.preprocess.feature_engineering
catlearn.preprocess.feature_extraction
catlearn.preprocess.greedy_elimination
catlearn.preprocess.importance_testing
catlearn.preprocess.scaling
catlearn.regression
catlearn.regression.cost_function
catlearn.regression.gaussian_process
catlearn.regression.gpfunctions
catlearn.regression.gpfunctions.covariance
catlearn.regression.gpfunctions.default_scale
catlearn.regression.gpfunctions.hyperparameter_scaling
catlearn.regression.gpfunctions.io
catlearn.regression.gpfunctions.kernel_scaling
catlearn.regression.gpfunctions.kernel_setup
catlearn.regression.gpfunctions.kernels
catlearn.regression.gpfunctions.log_marginal_likelihood
catlearn.regression.gpfunctions.sensitivity
catlearn.regression.gpfunctions.uncertainty
catlearn.regression.ridge_regression
catlearn.regression.scikit_wrapper
catlearn.utilities
catlearn.utilities.clustering
catlearn.utilities.database_functions
catlearn.utilities.distribution
catlearn.utilities.neighborlist
catlearn.utilities.penalty_functions
catlearn.utilities.sammon
catlearn.utilities.utilities