CHANGES.md
LICENSE
MANIFEST.in
README.md
pyproject.toml
requirements-ci.txt
requirements.txt
setup.cfg
setup.py
m3gnet/__init__.py
m3gnet/callbacks.py
m3gnet/config.py
m3gnet/type.py
m3gnet.egg-info/PKG-INFO
m3gnet.egg-info/SOURCES.txt
m3gnet.egg-info/dependency_links.txt
m3gnet.egg-info/requires.txt
m3gnet.egg-info/top_level.txt
m3gnet/graph/__init__.py
m3gnet/graph/_batch.py
m3gnet/graph/_compute.py
m3gnet/graph/_converters.py
m3gnet/graph/_structure.py
m3gnet/graph/_threebody_indices.c
m3gnet/graph/_threebody_indices.pyx
m3gnet/graph/_types.py
m3gnet/graph/tests/test_batch.py
m3gnet/graph/tests/test_compute.py
m3gnet/graph/tests/test_converters.py
m3gnet/graph/tests/test_types.py
m3gnet/layers/__init__.py
m3gnet/layers/_aggregate.py
m3gnet/layers/_atom.py
m3gnet/layers/_atom_ref.py
m3gnet/layers/_base.py
m3gnet/layers/_basis.py
m3gnet/layers/_bond.py
m3gnet/layers/_core.py
m3gnet/layers/_cutoff.py
m3gnet/layers/_gn.py
m3gnet/layers/_readout.py
m3gnet/layers/_state.py
m3gnet/layers/_three_body.py
m3gnet/layers/_two_body.py
m3gnet/layers/tests/test_2_3_body.py
m3gnet/layers/tests/test_aggregate.py
m3gnet/layers/tests/test_atom_ref.py
m3gnet/layers/tests/test_base.py
m3gnet/layers/tests/test_basis.py
m3gnet/layers/tests/test_bond.py
m3gnet/layers/tests/test_core.py
m3gnet/layers/tests/test_gn.py
m3gnet/layers/tests/test_readout.py
m3gnet/layers/tests/data/test_NaCl.json
m3gnet/models/__init__.py
m3gnet/models/_base.py
m3gnet/models/_dynamics.py
m3gnet/models/_m3gnet.py
m3gnet/models/tests/test_model.py
m3gnet/trainers/__init__.py
m3gnet/trainers/_metrics.py
m3gnet/trainers/_potential.py
m3gnet/trainers/_property.py
m3gnet/trainers/tests/Li-O.json
m3gnet/trainers/tests/test_trainer.py
m3gnet/utils/__init__.py
m3gnet/utils/_general.py
m3gnet/utils/_math.py
m3gnet/utils/_tf.py
m3gnet/utils/sb_roots.txt
m3gnet/utils/tests/test_general.py
m3gnet/utils/tests/test_math.py
m3gnet/utils/tests/test_tf.py
pretrained/MP-2021.2.8-EFS/checkpoint
pretrained/MP-2021.2.8-EFS/m3gnet.data-00000-of-00001
pretrained/MP-2021.2.8-EFS/m3gnet.index
pretrained/MP-2021.2.8-EFS/m3gnet.json