PyPI project
acellera-openff-nagl
2 indexed releases ยท newest sdist 0.5.5 with 69 indexed members
Files in 0.5.5 acellera_openff_nagl-0.5.5.tar.gz
- openff/nagl/__init__.py
- openff/nagl/_base/__init__.py
- openff/nagl/_base/base.py
- openff/nagl/_base/metaregistry.py
- openff/nagl/_version.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/domains.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/lookups.py
- openff/nagl/molecule/__init__.py
- openff/nagl/molecule/_base.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/molecule/_utils.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/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/nn/postprocess.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/templates/__init__.py
- openff/nagl/training/templates/files.py
- openff/nagl/training/training.py
- 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
- versioneer.py