LICENSE
README.md
pyproject.toml
molfp/__init__.py
molfp/_pubchem.py
molfp/_smarts.py
molfp/annotate.py
molfp/bioactivity.py
molfp/cliffs.py
molfp/collisions.py
molfp/distance.py
molfp/explain.py
molfp/fingerprints.py
molfp/fusion.py
molfp/interpret.py
molfp/isomers.py
molfp/similarity.py
molfp/sklearn.py
molfp/standardize.py
molfp.egg-info/PKG-INFO
molfp.egg-info/SOURCES.txt
molfp.egg-info/dependency_links.txt
molfp.egg-info/requires.txt
molfp.egg-info/top_level.txt
molfp/data/klekota_roth_smarts.txt
molfp/data/pubchem_fingerprint_definitions.txt
molfp/data/smarts_substructure.txt
tests/test_molfp.py