Contents:
MolProp:
molprop
molprop.applicability_domain_methods
molprop.applicability_domain_methods.support_vector_machine
molprop.applicability_domain_methods.support_vector_machine.ocsvm
molprop.applicability_domain_methods.support_vector_machine.utils
molprop.data_processing
molprop.inference
molprop.info
molprop.models
molprop.models.graph_neural_network
molprop.powertoys
molprop.powertoys.hydra_utils
molprop.powertoys.logging
molprop.powertoys.logging.indent_logger
molprop.powertoys.logging.log_decorator
molprop.powertoys.pathlib_utils
molprop.predict
molprop.pyg_molgraph
molprop.train_ensemble_model
molprop.train_single_model
molprop.training
molprop.training_type
molprop.utils
molprop.utils.analyze_mol_data
molprop.utils.analyze_results
molprop.utils.data_transform
molprop.utils.early_stopping
molprop.utils.graph_transform
molprop.utils.mol_features
molprop.utils.omegaconf_resolvers
molprop.utils.transfer_learning
molprop.utils.utils
tests
tests.conftest
tests.environments
tests.environments.test_conda_installed_packages
tests.environments.test_log_info
tests.samples
tests.samples.test_run_samples
tests.test_sklearn_torch_tensor_device
tests.test_torch_cuda
tests.test_torch_sparse_coalesce