LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
versioneer.py
gufe/__init__.py
gufe/_version.py
gufe/chemicalsystem.py
gufe/custom_codecs.py
gufe/custom_json.py
gufe/custom_typing.py
gufe/molhashing.py
gufe/network.py
gufe/tokenization.py
gufe/utils.py
gufe.egg-info/PKG-INFO
gufe.egg-info/SOURCES.txt
gufe.egg-info/dependency_links.txt
gufe.egg-info/not-zip-safe
gufe.egg-info/requires.txt
gufe.egg-info/top_level.txt
gufe/components/__init__.py
gufe/components/component.py
gufe/components/explicitmoleculecomponent.py
gufe/components/proteincomponent.py
gufe/components/smallmoleculecomponent.py
gufe/components/solventcomponent.py
gufe/mapping/__init__.py
gufe/mapping/atom_mapper.py
gufe/mapping/atom_mapping.py
gufe/mapping/componentmapping.py
gufe/protocols/__init__.py
gufe/protocols/protocol.py
gufe/protocols/protocoldag.py
gufe/protocols/protocolunit.py
gufe/storage/__init__.py
gufe/storage/errors.py
gufe/storage/metadatastore.py
gufe/storage/resultclient.py
gufe/storage/resultserver.py
gufe/storage/externalresource/__init__.py
gufe/storage/externalresource/base.py
gufe/storage/externalresource/filestorage.py
gufe/storage/externalresource/memorystorage.py
gufe/tests/__init__.py
gufe/tests/conftest.py
gufe/tests/test_chemicalsystem.py
gufe/tests/test_custom_json.py
gufe/tests/test_mapping.py
gufe/tests/test_molhashing.py
gufe/tests/test_network.py
gufe/tests/test_proteincomponent.py
gufe/tests/test_protocol.py
gufe/tests/test_smallmoleculecomponent.py
gufe/tests/test_solvents.py
gufe/tests/test_tokenization.py
gufe/tests/test_transformation.py
gufe/tests/test_utils.py
gufe/tests/data/__init__.py
gufe/transformations/__init__.py
gufe/transformations/transformation.py
gufe/vendor/__init__.py
gufe/vendor/pdb_file/PdbxContainers.py
gufe/vendor/pdb_file/PdbxReader.py
gufe/vendor/pdb_file/__init__.py
gufe/vendor/pdb_file/element.py
gufe/vendor/pdb_file/pdbfile.py
gufe/vendor/pdb_file/pdbstructure.py
gufe/vendor/pdb_file/pdbxfile.py
gufe/vendor/pdb_file/singelton.py
gufe/vendor/pdb_file/topology.py
gufe/vendor/pdb_file/unitcell.py
gufe/vendor/pdb_file/data/pdbNames.xml
gufe/vendor/pdb_file/data/residues.xml
gufe/vendor/pdb_file/data/residues_orig.xml