LICENSE
README.md
pyproject.toml
src/mordred/ABCIndex.py
src/mordred/AcidBase.py
src/mordred/AdjacencyMatrix.py
src/mordred/Aromatic.py
src/mordred/AtomCount.py
src/mordred/Autocorrelation.py
src/mordred/BCUT.py
src/mordred/BalabanJ.py
src/mordred/BaryszMatrix.py
src/mordred/BertzCT.py
src/mordred/BondCount.py
src/mordred/CPSA.py
src/mordred/CarbonTypes.py
src/mordred/Chi.py
src/mordred/Constitutional.py
src/mordred/DetourMatrix.py
src/mordred/DistanceMatrix.py
src/mordred/EState.py
src/mordred/EccentricConnectivityIndex.py
src/mordred/ExtendedTopochemicalAtom.py
src/mordred/FragmentComplexity.py
src/mordred/Framework.py
src/mordred/GeometricalIndex.py
src/mordred/GravitationalIndex.py
src/mordred/HydrogenBond.py
src/mordred/InformationContent.py
src/mordred/KappaShapeIndex.py
src/mordred/Lipinski.py
src/mordred/LogS.py
src/mordred/McGowanVolume.py
src/mordred/MoRSE.py
src/mordred/MoeType.py
src/mordred/MolecularDistanceEdge.py
src/mordred/MolecularId.py
src/mordred/MomentOfInertia.py
src/mordred/PBF.py
src/mordred/PathCount.py
src/mordred/Polarizability.py
src/mordred/RingCount.py
src/mordred/RotatableBond.py
src/mordred/SLogP.py
src/mordred/TopoPSA.py
src/mordred/TopologicalCharge.py
src/mordred/TopologicalIndex.py
src/mordred/VdwVolumeABC.py
src/mordred/VertexAdjacencyInformation.py
src/mordred/WalkCount.py
src/mordred/Weight.py
src/mordred/WienerIndex.py
src/mordred/ZagrebIndex.py
src/mordred/__init__.py
src/mordred/__main__.py
src/mordred/_atomic_property.py
src/mordred/_graph_matrix.py
src/mordred/_matrix_attributes.py
src/mordred/_util.py
src/mordred/_base/__init__.py
src/mordred/_base/calculator.py
src/mordred/_base/context.py
src/mordred/_base/descriptor.py
src/mordred/_base/pandas_module.py
src/mordred/_base/parallel.py
src/mordred/_base/result.py
src/mordred/_base/util.py
src/mordred/data/allred_rocow_electron_negativity.txt
src/mordred/data/ionization_potential.txt
src/mordred/data/mass.txt
src/mordred/data/mc_gowan_volume.txt
src/mordred/data/pauling_electron_negativity.txt
src/mordred/data/polarizalibity78.txt
src/mordred/data/polarizalibity94.txt
src/mordred/data/sanderson_electron_negativity.txt
src/mordred/data/van_der_waals_radii.txt
src/mordred/descriptors/__init__.py
src/mordred/error/__init__.py
src/mordred/surface_area/__init__.py
src/mordred/surface_area/__main__.py
src/mordred/surface_area/_mesh.py
src/mordred/surface_area/_sasa.py
src/mordred_ojmb.egg-info/PKG-INFO
src/mordred_ojmb.egg-info/SOURCES.txt
src/mordred_ojmb.egg-info/dependency_links.txt
src/mordred_ojmb.egg-info/entry_points.txt
src/mordred_ojmb.egg-info/requires.txt
src/mordred_ojmb.egg-info/top_level.txt
tests/test_ABCIndex.py
tests/test_ETA.py
tests/test_MolecularDistanceEdge.py
tests/test_SASA.py
tests/test_SLogP.py
tests/test_VEA.py
tests/test_atomic_property.py
tests/test_attributes.py
tests/test_base.py
tests/test_by_references.py
tests/test_compose_descriptor.py
tests/test_exceptions.py
tests/test_import_all_descriptors.py
tests/test_json.py
tests/test_mordred_main.py
tests/test_pandas.py
tests/test_parallel.py
tests/test_pickle.py
tests/test_result_type.py