Molecule Property Optimization (QED) on ZINC250
0.9482AUC@1MolWorld
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MolWorldOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.9482 | 0.9481 | 0.9472 | 2.72 | 12.5625 | |
| REINVENTOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.9466 | 0.9409 | 0.9111 | 46.75 | 2.9545 | |
| GraphGAOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.9463 | 0.9383 | 0.9083 | 62.23 | 0.8467 | |
| Aug-MemOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.9462 | 0.9388 | 0.8996 | 58.63 | 2.8359 | |
| MOLLEOOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.944 | 0.9368 | 0.9107 | 58.24 | 1.131 | |
| GP-BOOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.9433 | 0.9359 | 0.9089 | 61.74 | 0.9397 |