richlewis42 /
scikit-chem
| 6 added classes/operations | |||
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C | n_atoms() added | |
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C | MorganFingerprinter.grad() added | |
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A | _from_smiles() added | |
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A | _load_pains() added | |
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A | mass() added | |
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B | no_pains() added | |
| A | ↘ | B | RDKFingerprinter.__init__() got worse |
| A | ↘ | B | MorganFingerprinter.__init__() got worse |
| A | ↘ | B | AtomPairFingerprinter.__init__() got worse |
| B | ↗ | A | bedroc_score() improved |
| Head |  Rich Lewis
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| ⋮ | 7 more commits |
| Base | Rich Lewis
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