| setup.py | 40 | A 0 mins |
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| setup.cfg | |
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| mordred/surface_area/_sasa.py | 87 | A 2 hrs |
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| mordred/surface_area/_mesh.py | 83 | A 0 mins |
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| mordred/surface_area/__main__.py | 41 | A 0 mins |
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| mordred/surface_area/__init__.py | 14 | A 0 mins |
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| mordred/error/__init__.py | 64 | A 0 mins |
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| mordred/descriptors/__init__.py | 28 | A 25 mins |
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| mordred/data/van_der_waals_radii.txt | |
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| mordred/data/sanderson_electron_negativity.txt | |
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| mordred/data/polarizalibity94.txt | |
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| mordred/data/polarizalibity78.txt | |
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| mordred/data/pauling_electron_negativity.txt | |
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| mordred/data/mc_gowan_volume.txt | |
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| mordred/data/mass.txt | |
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| mordred/data/ionization_potential.txt | |
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| mordred/data/allred_rocow_electron_negativity.txt | |
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| mordred/_version.txt | |
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| mordred/_version.py | 5 | A 0 mins |
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| mordred/_util.py | 78 | A 35 mins |
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| mordred/_matrix_attributes.py | 193 | D 2 days |
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| mordred/_graph_matrix.py | 89 | B 5 hrs |
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| mordred/_base/util.py | 16 | A 0 mins |
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| mordred/_base/result.py | 130 | A 0 mins |
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| mordred/_base/parallel.py | 64 | A 1 hr |
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| mordred/_base/pandas_module.py | 12 | A 0 mins |
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| mordred/_base/descriptor.py | 290 | B 6 hrs |
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| mordred/_base/context.py | 66 | B 4 hrs |
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| mordred/_base/calculator.py | 355 | D 2 days |
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| mordred/_base/__init__.py | 74 | A 55 mins |
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| mordred/_atomic_property.py | 255 | A 2 hrs |
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| mordred/__main__.py | 191 | B 4 hrs |
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| mordred/__init__.py | 19 | A 0 mins |
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| mordred/ZagrebIndex.py | 57 | A 0 mins |
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| mordred/WienerIndex.py | 31 | A 0 mins |
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| mordred/Weight.py | 34 | A 1 hr |
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| mordred/WalkCount.py | 57 | A 1 hr |
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| mordred/VertexAdjacencyInformation.py | 32 | A 0 mins |
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| mordred/VdwVolumeABC.py | 55 | A 0 mins |
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| mordred/TopologicalIndex.py | 80 | C 1 day |
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| mordred/TopologicalCharge.py | 75 | A 0 mins |
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| mordred/TopoPSA.py | 96 | D 1 day |
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| mordred/SLogP.py | 34 | A 2 hrs |
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| mordred/RotatableBond.py | 41 | A 0 mins |
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| mordred/RingCount.py | 132 | C 1 day |
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| mordred/Polarizability.py | 45 | A 0 mins |
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| mordred/PathCount.py | 124 | A 3 hrs |
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| mordred/PBF.py | 20 | A 0 mins |
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| mordred/MomentOfInertia.py | 49 | A 0 mins |
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| mordred/MolecularId.py | 122 | A 50 mins |
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