LICENSE
MANIFEST.in
README.md
pyproject.toml
src/graphchem/__init__.py
src/graphchem/py.typed
src/graphchem/version.py
src/graphchem.egg-info/PKG-INFO
src/graphchem.egg-info/SOURCES.txt
src/graphchem.egg-info/dependency_links.txt
src/graphchem.egg-info/requires.txt
src/graphchem.egg-info/top_level.txt
src/graphchem/data/__init__.py
src/graphchem/data/structs.py
src/graphchem/datasets/__init__.py
src/graphchem/datasets/sets.py
src/graphchem/datasets/static/cn.csv
src/graphchem/datasets/static/lhv.csv
src/graphchem/datasets/static/mon.csv
src/graphchem/datasets/static/ron.csv
src/graphchem/datasets/static/ysi.csv
src/graphchem/nn/__init__.py
src/graphchem/nn/gcn.py
src/graphchem/preprocessing/__init__.py
src/graphchem/preprocessing/features.py
tests/test_api_contract.py
tests/test_e2e_pipeline.py
tests/test_encoding_oracles.py
tests/test_features.py
tests/test_gcn.py
tests/test_packaging.py
tests/test_sets.py
tests/test_structs.py