Molecule Design on Molecule Design 1,500 samples (train)
7.733Reward (R-10)TD-GFN
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| TD-GFN2025.05 | 7.733 | 7.45 | 6.81 | 27,490 | |
| Oracle-GFNstatus=reference2025.05 | 7.718 | 7.408 | 6.801 | 441,410 | |
| BC2025.05 | 7.652 | 7.223 | 6.459 | — | |
| Proxy-GFN2025.05 | 7.625 | 7.281 | 6.636 | 437,350 | |
| QM-COFlowNet2025.05 | 7.611 | 7.296 | 6.638 | 44,230 | |
| FM-COFlowNet2025.05 | 7.582 | 7.201 | 6.485 | 58,290 | |
| Dataset-GFN2025.05 | 7.55 | 7.198 | 6.474 | 60,300 | |
| Behavior-GFNstatus=reference2025.05 | 7.534 | 7.22 | 6.504 | — | |
| GAIL2025.05 | 7.528 | 7.152 | 6.406 | — | |
| Datasetstatus=reference2025.05 | 7.42 | 6.968 | 5.757 | — | |
| BraVE2025.05 | 7.271 | 6.65 | 5.59 | 6,450 | |
| CQL2025.05 | 7.069 | 6.643 | 5.401 | 8,030 | |
| IQL2025.05 | 6.902 | 5.98 | 4.628 | 41,040 |