Molecule Design on Molecule Design (test)
141,115Mode Coverage (R>7.5)Flow Matching (FM)
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Flow Matching (FM)search_strategy=Partial Local Search2026.02 | 141,115 | 8.508 | — | — | — | |
| Flow Matching (FM)search_strategy=Prior2026.02 | 124,901 | 8.433 | — | — | — | |
| Flow Matching (FM)search_strategy=Local Search2026.02 | 21,898 | 8.337 | — | — | — | |
| Flow Matching (FM)search_strategy=Standard2026.02 | 17,898 | 8.319 | — | — | — | |
| CMAB-GFN2026.02 | 14,913 | — | 3,207 | 8.436 | 0.49 | |
| QGFN2026.02 | 8,567 | — | 1,420 | 8.395 | 0.54 | |
| Teacher2026.02 | 7,811 | — | 1,308 | 8.364 | 0.49 | |
| LSGFN2026.02 | 4,514 | — | 555 | 8.316 | 0.53 | |
| Trajectory Balance (TB)search_strategy=Partial Local Search2026.02 | 2,626 | 8.029 | — | — | — | |
| TB2026.02 | 2,507 | — | 308 | 8.233 | 0.47 | |
| RandGFN2026.02 | 2,188 | — | 282 | 8.248 | 0.46 | |
| Trajectory Balance (TB)search_strategy=Prior2026.02 | 1,333 | 7.951 | — | — | — | |
| Detailed Balance (DB)search_strategy=Partial Local Search2026.02 | 78 | 7.606 | — | — | — | |
| Detailed Balance (DB)search_strategy=Prior2026.02 | 56 | 7.521 | — | — | — | |
| Trajectory Balance (TB)search_strategy=Local Search2026.02 | 17 | 7.312 | — | — | — | |
| Detailed Balance (DB)search_strategy=Local Search2026.02 | 14 | 7.176 | — | — | — | |
| Sub-trajectory Balance (subTB)search_strategy=Partial Local Search2026.02 | 14 | 7.402 | — | — | — | |
| Sub-trajectory Balance (subTB)search_strategy=Prior2026.02 | 11 | 7.351 | — | — | — | |
| Detailed Balance (DB)search_strategy=Standard2026.02 | 10 | 7.085 | — | — | — | |
| Trajectory Balance (TB)search_strategy=Standard2026.02 | 8 | 7.29 | — | — | — | |
| SUBTB2026.02 | 6 | — | 0 | 7.245 | 0.5 | |
| DB2026.02 | 6 | — | 0 | 7.124 | 0.44 | |
| Sub-trajectory Balance (subTB)search_strategy=Standard2026.02 | 1 | 7.187 | — | — | — | |
| Sub-trajectory Balance (subTB)search_strategy=Local Search2026.02 | 1 | 7.068 | — | — | — | |
| PPO2026.02 | 0 | 7.36 | — | — | — | |
| MARS2026.02 | 0 | 7.322 | — | — | — |