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/CPSA.py290
C
1 day
mordred/_base/descriptor.py290
B
6 hrs
mordred/_atomic_property.py255
A
2 hrs
mordred/Autocorrelation.py236
C
1 day
mordred/InformationContent.py218
A
2 hrs
mordred/_matrix_attributes.py193
D
2 days
mordred/Chi.py193
B
4 hrs
mordred/__main__.py191
B
4 hrs
mordred/DetourMatrix.py180
A
3 hrs
mordred/EState.py164
A
0 mins
mordred/RingCount.py132
C
1 day
mordred/_base/result.py130
A
0 mins
mordred/PathCount.py124
A
3 hrs
mordred/MolecularId.py122
A
50 mins
mordred/CarbonTypes.py106
A
0 mins
mordred/AtomCount.py103
A
1 hr
mordred/TopoPSA.py96
D
1 day
mordred/_graph_matrix.py89
B
5 hrs
mordred/BCUT.py88
A
25 mins
mordred/surface_area/_sasa.py87
A
2 hrs
mordred/BondCount.py87
A
0 mins
mordred/MoeType.py85
A
0 mins
mordred/surface_area/_mesh.py83
A
0 mins
mordred/TopologicalIndex.py80
C
1 day
mordred/GeometricalIndex.py80
C
1 day
mordred/_util.py78
A
35 mins
mordred/TopologicalCharge.py75
A
0 mins
mordred/_base/__init__.py74
A
55 mins
mordred/MolecularDistanceEdge.py71
A
1 hr
mordred/_base/context.py66
B
4 hrs
mordred/KappaShapeIndex.py66
A
2 hrs
mordred/BaryszMatrix.py66
A
0 mins
docs/conf.py64
A
1 hr
mordred/error/__init__.py64
A
0 mins
mordred/_base/parallel.py64
A
1 hr
mordred/MoRSE.py63
A
0 mins
docs/scripts/gen_default_descs.py60
A
25 mins
mordred/Framework.py59
A
30 mins
mordred/AcidBase.py58
A
0 mins
mordred/WalkCount.py57
A
1 hr
mordred/ZagrebIndex.py57
A
0 mins
mordred/ABCIndex.py57
A
2 hrs
mordred/VdwVolumeABC.py55
A
0 mins
mordred/Constitutional.py53
A
0 mins
mordred/LogS.py52
A
0 mins
docs/scripts/gen_descriptor_doc.py50
A
0 mins
mordred/Lipinski.py49
A
0 mins
mordred/MomentOfInertia.py49
A
0 mins