mordred-descriptor/mordred

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NameLines of codeMaintainabilityTest coverage
mordred/ExtendedTopochemicalAtom.py577
D
3 days
mordred/_base/calculator.py355
D
2 days
mordred/_matrix_attributes.py193
D
2 days
mordred/TopoPSA.py96
D
1 day
mordred/Autocorrelation.py236
C
1 day
mordred/TopologicalIndex.py80
C
1 day
mordred/GeometricalIndex.py80
C
1 day
mordred/CPSA.py290
C
1 day
mordred/RingCount.py132
C
1 day
mordred/Aromatic.py30
B
6 hrs
mordred/_base/descriptor.py290
B
6 hrs
mordred/HydrogenBond.py34
B
5 hrs
mordred/_graph_matrix.py89
B
5 hrs
mordred/__main__.py191
B
4 hrs
mordred/_base/context.py66
B
4 hrs
mordred/Chi.py193
B
4 hrs
mordred/DetourMatrix.py180
A
3 hrs
mordred/PathCount.py124
A
3 hrs
mordred/SLogP.py34
A
2 hrs
mordred/ABCIndex.py57
A
2 hrs
mordred/_atomic_property.py255
A
2 hrs
mordred/InformationContent.py218
A
2 hrs
mordred/KappaShapeIndex.py66
A
2 hrs
mordred/DistanceMatrix.py37
A
2 hrs
mordred/AdjacencyMatrix.py37
A
2 hrs
mordred/surface_area/_sasa.py87
A
2 hrs
mordred/GravitationalIndex.py40
A
1 hr
docs/conf.py64
A
1 hr
mordred/AtomCount.py103
A
1 hr
mordred/MolecularDistanceEdge.py71
A
1 hr
mordred/_base/parallel.py64
A
1 hr
mordred/WalkCount.py57
A
1 hr
mordred/Weight.py34
A
1 hr
mordred/_base/__init__.py74
A
55 mins
docs/scripts/gen_descriptor_list_xlsx.py32
A
55 mins
mordred/MolecularId.py122
A
50 mins
mordred/_util.py78
A
35 mins
mordred/Framework.py59
A
30 mins
mordred/descriptors/__init__.py28
A
25 mins
docs/scripts/gen_default_descs.py60
A
25 mins
mordred/BCUT.py88
A
25 mins
docs/scripts/__init__.py0
A
0 mins
docs/scripts/gen_atomic_props.py11
A
0 mins
docs/scripts/gen_descriptor_doc.py50
A
0 mins
docs/scripts/load_path.py5
A
0 mins
examples/010-single_mol-single_desc.py9
A
0 mins
examples/020-single_mol-multiple_desc.py20
A
0 mins
examples/030-multiple_mol-multiple_desc.py13
A
0 mins
examples/110-descriptor-arithmetic.py8
A
0 mins
examples/article/Code2.py6
A
0 mins