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/config.py
megnet/losses.py
megnet.egg-info/PKG-INFO
megnet.egg-info/SOURCES.txt
megnet.egg-info/dependency_links.txt
megnet.egg-info/entry_points.txt
megnet.egg-info/requires.txt
megnet.egg-info/top_level.txt
megnet/cli/__init__.py
megnet/cli/meg.py
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_graph_types.py
megnet/data/tests/test_local_env.py
megnet/data/tests/test_molecule.py
megnet/data/tests/qm9/000001.json
megnet/data/tests/qm9/qm9.json
megnet/layers/__init__.py
megnet/layers/featurizer/__init__.py
megnet/layers/featurizer/_gaussian_expansion.py
megnet/layers/featurizer/tests/test_gaussian.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/models/__init__.py
megnet/models/base.py
megnet/models/megnet.py
megnet/tests/test_activations.py
megnet/tests/test_callbacks.py
megnet/tests/test_config.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/typing.py
megnet/utils/tests/test_data.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
mvl_models/README.md
mvl_models/mp-2018.6.1/README.md
mvl_models/mp-2018.6.1/band_classification.hdf5
mvl_models/mp-2018.6.1/band_classification.hdf5.json
mvl_models/mp-2018.6.1/band_gap_regression.hdf5
mvl_models/mp-2018.6.1/band_gap_regression.hdf5.json
mvl_models/mp-2018.6.1/formation_energy.hdf5
mvl_models/mp-2018.6.1/formation_energy.hdf5.json
mvl_models/mp-2018.6.1/log10G.hdf5
mvl_models/mp-2018.6.1/log10G.hdf5.json
mvl_models/mp-2018.6.1/log10K.hdf5
mvl_models/mp-2018.6.1/log10K.hdf5.json
mvl_models/mp-2019.4.1/README.md
mvl_models/mp-2019.4.1/efermi.hdf5
mvl_models/mp-2019.4.1/efermi.hdf5.json
mvl_models/mp-2019.4.1/formation_energy.hdf5
mvl_models/mp-2019.4.1/formation_energy.hdf5.json
mvl_models/mp-2019.4.1/log10G.hdf5
mvl_models/mp-2019.4.1/log10G.hdf5.json
mvl_models/mp-2019.4.1/log10K.hdf5
mvl_models/mp-2019.4.1/log10K.hdf5.json
mvl_models/qm9-2018.6.1/Cv.hdf5
mvl_models/qm9-2018.6.1/Cv.hdf5.json
mvl_models/qm9-2018.6.1/G.hdf5
mvl_models/qm9-2018.6.1/G.hdf5.json
mvl_models/qm9-2018.6.1/H.hdf5
mvl_models/qm9-2018.6.1/H.hdf5.json
mvl_models/qm9-2018.6.1/HOMO.hdf5
mvl_models/qm9-2018.6.1/HOMO.hdf5.json
mvl_models/qm9-2018.6.1/LUMO.hdf5
mvl_models/qm9-2018.6.1/LUMO.hdf5.json
mvl_models/qm9-2018.6.1/R2.hdf5
mvl_models/qm9-2018.6.1/R2.hdf5.json
mvl_models/qm9-2018.6.1/README.md
mvl_models/qm9-2018.6.1/U.hdf5
mvl_models/qm9-2018.6.1/U.hdf5.json
mvl_models/qm9-2018.6.1/U0.hdf5
mvl_models/qm9-2018.6.1/U0.hdf5.json
mvl_models/qm9-2018.6.1/ZPVE.hdf5
mvl_models/qm9-2018.6.1/ZPVE.hdf5.json
mvl_models/qm9-2018.6.1/alpha.hdf5
mvl_models/qm9-2018.6.1/alpha.hdf5.json
mvl_models/qm9-2018.6.1/gap.hdf5
mvl_models/qm9-2018.6.1/gap.hdf5.json
mvl_models/qm9-2018.6.1/mu.hdf5
mvl_models/qm9-2018.6.1/mu.hdf5.json
mvl_models/qm9-2018.6.1/omega1.hdf5
mvl_models/qm9-2018.6.1/omega1.hdf5.json