mordred/__init__.py | 19 | A 0 mins |
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mordred/__main__.py | 191 | B 4 hrs |
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mordred/_atomic_property.py | 255 | A 2 hrs |
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mordred/_base/__init__.py | 74 | A 55 mins |
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mordred/_base/calculator.py | 355 | D 2 days |
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mordred/_base/context.py | 66 | B 4 hrs |
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mordred/_base/descriptor.py | 290 | B 6 hrs |
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mordred/_base/pandas_module.py | 12 | A 0 mins |
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mordred/_base/parallel.py | 64 | A 1 hr |
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mordred/_base/result.py | 130 | A 0 mins |
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mordred/_base/util.py | 16 | A 0 mins |
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mordred/_graph_matrix.py | 89 | B 5 hrs |
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mordred/_matrix_attributes.py | 193 | D 2 days |
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mordred/_util.py | 78 | A 35 mins |
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mordred/_version.py | 5 | A 0 mins |
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mordred/_version.txt | |
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mordred/data/allred_rocow_electron_negativity.txt | |
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mordred/data/ionization_potential.txt | |
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mordred/data/mass.txt | |
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mordred/data/mc_gowan_volume.txt | |
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mordred/data/pauling_electron_negativity.txt | |
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mordred/data/polarizalibity78.txt | |
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mordred/data/polarizalibity94.txt | |
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mordred/data/sanderson_electron_negativity.txt | |
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mordred/data/van_der_waals_radii.txt | |
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mordred/descriptors/__init__.py | 28 | A 25 mins |
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mordred/error/__init__.py | 64 | A 0 mins |
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mordred/surface_area/__init__.py | 14 | A 0 mins |
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mordred/surface_area/__main__.py | 41 | A 0 mins |
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mordred/surface_area/_mesh.py | 83 | A 0 mins |
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mordred/surface_area/_sasa.py | 87 | A 2 hrs |
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setup.cfg | |
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setup.py | 40 | A 0 mins |
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