mordred-descriptor/mordred

View on GitHub
Branch: master(View all)
NameLines of codeMaintainabilityTest coverage
mordred/Polarizability.py45
A
0 mins
mordred/surface_area/__main__.py41
A
0 mins
mordred/RotatableBond.py41
A
0 mins
setup.py40
A
0 mins
mordred/GravitationalIndex.py40
A
1 hr
mordred/AdjacencyMatrix.py37
A
2 hrs
mordred/DistanceMatrix.py37
A
2 hrs
mordred/SLogP.py34
A
2 hrs
mordred/Weight.py34
A
1 hr
mordred/HydrogenBond.py34
B
5 hrs
mordred/VertexAdjacencyInformation.py32
A
0 mins
mordred/FragmentComplexity.py32
A
0 mins
docs/scripts/gen_descriptor_list_xlsx.py32
A
55 mins
mordred/WienerIndex.py31
A
0 mins
mordred/EccentricConnectivityIndex.py31
A
0 mins
mordred/Aromatic.py30
B
6 hrs
mordred/descriptors/__init__.py28
A
25 mins
mordred/McGowanVolume.py23
A
0 mins
mordred/BalabanJ.py23
A
0 mins
mordred/BertzCT.py23
A
0 mins
extra/gen_sdf_file.py22
A
0 mins
examples/020-single_mol-multiple_desc.py20
A
0 mins
mordred/PBF.py20
A
0 mins
mordred/__init__.py19
A
0 mins
mordred/_base/util.py16
A
0 mins
mordred/surface_area/__init__.py14
A
0 mins
examples/030-multiple_mol-multiple_desc.py13
A
0 mins
extra/ci/get-rdkit-version.py12
A
0 mins
mordred/_base/pandas_module.py12
A
0 mins
extra/ci/bump-dev-version.py11
A
0 mins
docs/scripts/gen_atomic_props.py11
A
0 mins
examples/article/Code5.py10
A
0 mins
examples/010-single_mol-single_desc.py9
A
0 mins
examples/110-descriptor-arithmetic.py8
A
0 mins
examples/article/Code8.py8
A
0 mins
examples/article/Code6.py8
A
0 mins
examples/article/Code7.py7
A
0 mins
examples/article/Code2.py6
A
0 mins
extra/ci/gen_conda_build_config.py6
A
0 mins
mordred/_version.py5
A
0 mins
docs/scripts/load_path.py5
A
0 mins
examples/article/Code4.py4
A
0 mins
examples/article/Code3.py4
A
0 mins
docs/scripts/__init__.py0
A
0 mins
extra/ci/after_success.sh
mordred/data/polarizalibity94.txt
docs/introduction.rst
setup.cfg
.github/ISSUE_TEMPLATE/bugs.md
mordred/data/allred_rocow_electron_negativity.txt