richlewis42 /
scikit-chem
2,311 +95 Covered Lines
3,633 +147 Total Lines
63.6 % +0.043% Code Coverage
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100%
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↘ |
98.97%
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Mol improved |
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⇢ |
2.5
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hstackable() added |
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⇢ |
2.5
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n_halo() added |
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⇢ |
1.2963
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fract_c_hybrid() added |
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⇢ |
1.2963
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gasteiger_charges() added |
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⇢ |
1.125
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fract_rotatable_bonds() added |
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⇢ |
1.125
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n_hbd_lipinski() added |
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⇢ |
1.125
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max_partial_charge() added |
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⇢ |
1.125
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sum_van_der_waals_volume() added |
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⇢ |
1.125
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mean_ionisation_energy() added |
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⇢ |
1.125
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sum_electronegativity() added |
| ⋮ | view more | ||
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2
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↗ |
2.0625
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Mol.__eq__() improved |
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4
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↘ |
1.125
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n_atoms() improved |
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9.2876
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5.0342
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Cache.extract_kwargs() improved |
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14.7187
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7.9062
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requires_h_filled() improved |
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14.7187
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↘ |
7.9062
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requires_h_depleted() improved |
