mordred-descriptor/mordred

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NameLines of codeMaintainabilityTest coverage
mordred/RotatableBond.py41
mordred/SLogP.py34
A
2 hrs
mordred/TopoPSA.py96
D
1 day
mordred/TopologicalCharge.py75
mordred/TopologicalIndex.py80
C
1 day
mordred/VdwVolumeABC.py55
mordred/VertexAdjacencyInformation.py32
mordred/WalkCount.py57
A
1 hr
mordred/Weight.py34
A
1 hr
mordred/WienerIndex.py31
mordred/ZagrebIndex.py57
mordred/__init__.py19
mordred/__main__.py191
B
4 hrs
mordred/_atomic_property.py255
A
2 hrs
mordred/_base/__init__.py74
A
55 mins
mordred/_base/calculator.py355
D
2 days
mordred/_base/context.py66
B
4 hrs
mordred/_base/descriptor.py290
B
6 hrs
mordred/_base/pandas_module.py12
mordred/_base/parallel.py64
A
1 hr
mordred/_base/result.py130
mordred/_base/util.py16
mordred/_graph_matrix.py89
B
5 hrs
mordred/_matrix_attributes.py193
D
2 days
mordred/_util.py78
A
35 mins
mordred/_version.py5
mordred/descriptors/__init__.py28
A
25 mins
mordred/error/__init__.py64
mordred/surface_area/__init__.py14
mordred/surface_area/__main__.py41
mordred/surface_area/_mesh.py83
mordred/surface_area/_sasa.py87
A
2 hrs
setup.py40