LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
docs/source/chemopy.rst
docs/source/conf.py
docs/source/index.rst
docs/source/modules.rst
src/chemopy/__init__.py
src/chemopy/asa.py
src/chemopy/atomproperty.py
src/chemopy/atomtypes.py
src/chemopy/basak.py
src/chemopy/bcut.py
src/chemopy/charge.py
src/chemopy/chemopy.py
src/chemopy/connectivity.py
src/chemopy/constitution.py
src/chemopy/cpsa.py
src/chemopy/descs.json
src/chemopy/estate.py
src/chemopy/fingerprint.py
src/chemopy/fingerprint3d.py
src/chemopy/geary.py
src/chemopy/geo_opt.py
src/chemopy/geometric.py
src/chemopy/getmol.py
src/chemopy/kappa.py
src/chemopy/moe.py
src/chemopy/molproperty.py
src/chemopy/moran.py
src/chemopy/moreaubroto.py
src/chemopy/morse.py
src/chemopy/quanchem.py
src/chemopy/radius.py
src/chemopy/rdf.py
src/chemopy/topology.py
src/chemopy/utils.py
src/chemopy/vector3d.py
src/chemopy/whim.py
src/chemopy2.egg-info/PKG-INFO
src/chemopy2.egg-info/SOURCES.txt
src/chemopy2.egg-info/dependency_links.txt
src/chemopy2.egg-info/not-zip-safe
src/chemopy2.egg-info/requires.txt
src/chemopy2.egg-info/top_level.txt
tests/__init__.py
tests/constants.py
tests/test_descs_fps.py
tests/test_details.py
tests/test_fetchmols.py
tests/samples/CID148124.mol
tests/samples/CID148124.mol2
tests/samples/cas.txt
tests/samples/drug.mol
tests/samples/drugbank.txt
tests/samples/drugs.inchi
tests/samples/drugs.sdf
tests/samples/ebi.txt
tests/samples/kegg.txt
tests/samples/ncbi.txt
tests/samples/testmol.smi