CHANGES.md
LICENSE.md
MANIFEST.in
README.md
requirements-ci.txt
requirements.txt
setup.cfg
setup.py
megnet/__init__.py
megnet/activations.py
megnet/callbacks.py
megnet/losses.py
megnet/models.py
megnet.egg-info/PKG-INFO
megnet.egg-info/SOURCES.txt
megnet.egg-info/dependency_links.txt
megnet.egg-info/requires.txt
megnet.egg-info/top_level.txt
megnet/data/README.md
megnet/data/__init__.py
megnet/data/crystal.py
megnet/data/graph.py
megnet/data/local_env.py
megnet/data/molecule.py
megnet/data/qm9.py
megnet/data/resources/README.md
megnet/data/resources/elemental_embedding_1MEGNet_layer.json
megnet/data/tests/test_crystal.py
megnet/data/tests/test_graph.py
megnet/data/tests/test_local_env.py
megnet/data/tests/test_molecule.py
megnet/data/tests/test_qm9.py
megnet/data/tests/qm9/000001.json
megnet/data/tests/qm9/qm9.json
megnet/layers/__init__.py
megnet/layers/graph/__init__.py
megnet/layers/graph/base.py
megnet/layers/graph/cgcnn.py
megnet/layers/graph/megnet.py
megnet/layers/graph/schnet.py
megnet/layers/graph/tests/test_cgcnn.py
megnet/layers/graph/tests/test_megnet.py
megnet/layers/graph/tests/test_schnet.py
megnet/layers/readout/__init__.py
megnet/layers/readout/linear.py
megnet/layers/readout/set2set.py
megnet/layers/readout/tests/test_linear.py
megnet/layers/readout/tests/test_set2set.py
megnet/tests/test_activations.py
megnet/tests/test_callbacks.py
megnet/tests/test_losses.py
megnet/tests/test_models.py
megnet/utils/__init__.py
megnet/utils/data.py
megnet/utils/descriptor.py
megnet/utils/general.py
megnet/utils/layer.py
megnet/utils/metrics.py
megnet/utils/models.py
megnet/utils/molecule.py
megnet/utils/preprocessing.py
megnet/utils/tests/test_descriptor.py
megnet/utils/tests/test_general.py
megnet/utils/tests/test_layer.py
megnet/utils/tests/test_metrics.py
megnet/utils/tests/test_models_util.py
megnet/utils/tests/test_molecule_util.py
megnet/utils/tests/test_preprocessing.py