richlewis42 /
scikit-chem
| ⇢ | A | RoughEmbedding added |
| ⇢ | C | ForceField.transform() added | |
| ⇢ | B | ForceField.embed() added | |
| ⇢ | A | MMFF._optimize() added | |
| ⇢ | A | MMFF.__init__() added | |
| ⇢ | A | RoughEmbedding._optimize() added | |
| ⇢ | A | ForceField._optimize() added | |
| ⇢ | A | UFF._optimize() added | |
| A | ↘ | B | ForceField.optimize() got worse |
| A | ↛ | UFF.optimize() removed | |
| A | ↛ | MMFF.optimize() removed |
