Bicyclic molecule generation on 1000 molecules with 45 heavy atoms (test)
99.8ValidityMolDiff + MACROGUIDE
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| MolDiff + MACROGUIDEBase Model=MolDiff, Guidance Method=MACROGUIDE, Generation Setup=Unconditional2026.02 | 99.8 | 93.1 | 92.9 | 97 | |
| MolSnapper + MACROGUIDEBase Model=MolSnapper, Guidance Method=MACROGUIDE, Generation Setup=Conditional2026.02 | 82.1 | 100 | 82.1 | 89.5 |