mordred-descriptor/mordred

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NameLines of codeMaintainabilityTest coverage
mordred/ABCIndex.py57
A
2 hrs
mordred/AcidBase.py58
A
0 mins
mordred/AdjacencyMatrix.py37
A
2 hrs
mordred/Aromatic.py30
B
6 hrs
mordred/AtomCount.py103
A
1 hr
mordred/Autocorrelation.py236
C
1 day
mordred/BCUT.py88
A
25 mins
mordred/BalabanJ.py23
A
0 mins
mordred/BaryszMatrix.py66
A
0 mins
mordred/BertzCT.py23
A
0 mins
mordred/BondCount.py87
A
0 mins
mordred/CPSA.py290
C
1 day
mordred/CarbonTypes.py106
A
0 mins
mordred/Chi.py193
B
4 hrs
mordred/Constitutional.py53
A
0 mins
mordred/DetourMatrix.py180
A
3 hrs
mordred/DistanceMatrix.py37
A
2 hrs
mordred/EState.py164
A
0 mins
mordred/EccentricConnectivityIndex.py31
A
0 mins
mordred/ExtendedTopochemicalAtom.py577
D
3 days
mordred/FragmentComplexity.py32
A
0 mins
mordred/Framework.py59
A
30 mins
mordred/GeometricalIndex.py80
C
1 day
mordred/GravitationalIndex.py40
A
1 hr
mordred/HydrogenBond.py34
B
5 hrs
mordred/InformationContent.py218
A
2 hrs
mordred/KappaShapeIndex.py66
A
2 hrs
mordred/Lipinski.py49
A
0 mins
mordred/LogS.py52
A
0 mins
mordred/McGowanVolume.py23
A
0 mins
mordred/MoRSE.py63
A
0 mins
mordred/MoeType.py85
A
0 mins
mordred/MolecularDistanceEdge.py71
A
1 hr
mordred/MolecularId.py122
A
50 mins
mordred/MomentOfInertia.py49
A
0 mins
mordred/PBF.py20
A
0 mins
mordred/PathCount.py124
A
3 hrs
mordred/Polarizability.py45
A
0 mins
mordred/RingCount.py132
C
1 day
mordred/RotatableBond.py41
A
0 mins
mordred/SLogP.py34
A
2 hrs
mordred/TopoPSA.py96
D
1 day
mordred/TopologicalCharge.py75
A
0 mins
mordred/TopologicalIndex.py80
C
1 day
mordred/VdwVolumeABC.py55
A
0 mins
mordred/VertexAdjacencyInformation.py32
A
0 mins
mordred/WalkCount.py57
A
1 hr
mordred/Weight.py34
A
1 hr
mordred/WienerIndex.py31
A
0 mins
mordred/ZagrebIndex.py57
A
0 mins