richlewis42 /
scikit-chem
| ⇢ | C | n_atoms() added | |
| ⇢ | C | MorganFingerprinter.grad() added | |
| ⇢ | B | no_pains() added | |
| ⇢ | A | _load_pains() added | |
| ⇢ | A | mass() added | |
| ⇢ | A | _from_smiles() added | |
| A | ↘ | B | RDKFingerprinter.__init__() got worse |
| A | ↘ | B | MorganFingerprinter.__init__() got worse |
| A | ↘ | B | AtomPairFingerprinter.__init__() got worse |
| B | ↗ | A | bedroc_score() improved |
| A | ↛ | from_smiles() removed | |
| A | ↛ | molecular_weight() removed |
