LICENSE
README.md
pyproject.toml
src/catalyst/__init__.py
src/catalyst/_version.py
src/catalyst/characterization/__init__.py
src/catalyst/characterization/graph_order_parameter/__init__.py
src/catalyst/characterization/graph_order_parameter/gop.py
src/catalyst/characterization/sodas/__init__.py
src/catalyst/characterization/sodas/model/__init__.py
src/catalyst/characterization/sodas/model/sodas.py
src/catalyst/characterization/sodas/utils/__init__.py
src/catalyst/characterization/sodas/utils/utils.py
src/catalyst/data/__init__.py
src/catalyst/data/graph_data.py
src/catalyst/data/model_data.py
src/catalyst/data/utils.py
src/catalyst/graph/__init__.py
src/catalyst/graph/alignnd.py
src/catalyst/graph/generic_build.py
src/catalyst/graph/graph.py
src/catalyst/ml/__init__.py
src/catalyst/ml/inference.py
src/catalyst/ml/training.py
src/catalyst/ml/gnn/GNN.py
src/catalyst/ml/gnn/__init__.py
src/catalyst/ml/gnn/tasks.py
src/catalyst/ml/gnn/modules/__init__.py
src/catalyst/ml/gnn/modules/conv/__init__.py
src/catalyst/ml/gnn/modules/conv/conv_factory.py
src/catalyst/ml/gnn/modules/conv/edgecond_conv.py
src/catalyst/ml/gnn/modules/conv/gated_gcn.py
src/catalyst/ml/gnn/modules/conv/gine_conv.py
src/catalyst/ml/gnn/modules/conv/mgn_conv.py
src/catalyst/ml/gnn/modules/conv/pna_conv.py
src/catalyst/ml/gnn/modules/decoders/__init__.py
src/catalyst/ml/gnn/modules/decoders/equivariant_decoders.py
src/catalyst/ml/gnn/modules/decoders/standard_decoders.py
src/catalyst/ml/gnn/modules/encoders/__init__.py
src/catalyst/ml/gnn/modules/encoders/atomic_encoders.py
src/catalyst/ml/gnn/modules/encoders/equivariant_encoders.py
src/catalyst/ml/gnn/modules/equivariant/__init__.py
src/catalyst/ml/gnn/modules/equivariant/egnn.py
src/catalyst/ml/gnn/modules/equivariant/utils.py
src/catalyst/ml/gnn/modules/models/__init__.py
src/catalyst/ml/gnn/modules/models/alignn.py
src/catalyst/ml/gnn/modules/models/gnn_builder.py
src/catalyst/ml/gnn/modules/processors/__init__.py
src/catalyst/ml/gnn/modules/processors/equivariant_processor.py
src/catalyst/ml/gnn/modules/processors/order_processor.py
src/catalyst/ml/gnn/modules/processors/scalar_processor.py
src/catalyst/ml/gnn/modules/utils/__init__.py
src/catalyst/ml/gnn/modules/utils/basis.py
src/catalyst/ml/gnn/modules/utils/data_manager.py
src/catalyst/ml/gnn/modules/utils/e3nn_initial_embedding.py
src/catalyst/ml/gnn/modules/utils/edges.py
src/catalyst/ml/gnn/modules/utils/mic.py
src/catalyst/ml/gnn/modules/utils/misc.py
src/catalyst/ml/gnn/modules/utils/periodic_radius_graph.py
src/catalyst/ml/gnn/modules/utils/predict.py
src/catalyst/ml/nn/__init__.py
src/catalyst/ml/nn/mlp.py
src/catalyst/ml/utils/__init__.py
src/catalyst/ml/utils/distributed.py
src/catalyst/ml/utils/loss.py
src/catalyst/ml/utils/memory.py
src/catalyst/ml/utils/optimizer.py
src/catalyst/ml/utils/pooling_algorithms.py
src/catalyst/observer/__init__.py
src/catalyst/observer/params.py
src/catalyst/observer/validation.py
src/catalyst/properties/__init__.py
src/catalyst/properties/chemical_properties.py
src/catalyst/properties/physics_database.py
src/catalyst/properties/structure_properties.py
src/catalyst/utilities/__init__.py
src/catalyst/utilities/data_tools.py
src/catalyst/utilities/distributions.py
src/catalyst/utilities/rankings.py
src/catalyst/utilities/sampling.py
src/catalyst_gnn.egg-info/PKG-INFO
src/catalyst_gnn.egg-info/SOURCES.txt
src/catalyst_gnn.egg-info/dependency_links.txt
src/catalyst_gnn.egg-info/requires.txt
src/catalyst_gnn.egg-info/top_level.txt