AUTHORS.md
CHANGELOG.md
CODE_OF_CONDUCT.md
LICENSE
LICENSE-3RD-PARTY
MANIFEST.in
README.md
pyproject.toml
setup.cfg
versioneer.py
acellera_openff_nagl.egg-info/PKG-INFO
acellera_openff_nagl.egg-info/SOURCES.txt
acellera_openff_nagl.egg-info/dependency_links.txt
acellera_openff_nagl.egg-info/requires.txt
acellera_openff_nagl.egg-info/top_level.txt
openff/nagl/__init__.py
openff/nagl/_version.py
openff/nagl/domains.py
openff/nagl/lookups.py
openff/nagl/_base/__init__.py
openff/nagl/_base/base.py
openff/nagl/_base/metaregistry.py
openff/nagl/config/__init__.py
openff/nagl/config/data.py
openff/nagl/config/model.py
openff/nagl/config/optimizer.py
openff/nagl/config/training.py
openff/nagl/features/__init__.py
openff/nagl/features/_base.py
openff/nagl/features/_data.py
openff/nagl/features/_featurizers.py
openff/nagl/features/_utils.py
openff/nagl/features/atoms.py
openff/nagl/features/bonds.py
openff/nagl/label/dataset.py
openff/nagl/label/labels.py
openff/nagl/label/utils.py
openff/nagl/molecule/__init__.py
openff/nagl/molecule/_base.py
openff/nagl/molecule/_utils.py
openff/nagl/molecule/_dgl/__init__.py
openff/nagl/molecule/_dgl/batch.py
openff/nagl/molecule/_dgl/molecule.py
openff/nagl/molecule/_dgl/utils.py
openff/nagl/molecule/_graph/__init__.py
openff/nagl/molecule/_graph/_batch.py
openff/nagl/molecule/_graph/_graph.py
openff/nagl/molecule/_graph/_update.py
openff/nagl/molecule/_graph/_utils.py
openff/nagl/molecule/_graph/molecule.py
openff/nagl/nn/__init__.py
openff/nagl/nn/_base.py
openff/nagl/nn/_containers.py
openff/nagl/nn/_dataset.py
openff/nagl/nn/_models.py
openff/nagl/nn/_pooling.py
openff/nagl/nn/_sequential.py
openff/nagl/nn/activation.py
openff/nagl/nn/postprocess.py
openff/nagl/nn/gcn/__init__.py
openff/nagl/nn/gcn/_base.py
openff/nagl/nn/gcn/_function.py
openff/nagl/nn/gcn/_gin.py
openff/nagl/nn/gcn/_sage.py
openff/nagl/toolkits/__init__.py
openff/nagl/toolkits/_base.py
openff/nagl/toolkits/openeye.py
openff/nagl/toolkits/openff.py
openff/nagl/toolkits/rdkit.py
openff/nagl/toolkits/registry.py
openff/nagl/training/__init__.py
openff/nagl/training/loss.py
openff/nagl/training/metrics.py
openff/nagl/training/training.py
openff/nagl/training/templates/__init__.py
openff/nagl/training/templates/files.py
openff/nagl/training/templates/jinja_report.html
openff/nagl/utils/__init__.py
openff/nagl/utils/_hash.py
openff/nagl/utils/_parallelization.py
openff/nagl/utils/_time.py
openff/nagl/utils/_types.py
openff/nagl/utils/_utils.py
openff/nagl/utils/resonance.py