Molecule Property Optimization (GSK3B) on ZINC250
99.77AUC@1MolWorld
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MolWorldOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 99.77 | 96.79 | 91.48 | 1.18 | 19.4698 | |
| MOLLEOOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 94.46 | 91.27 | 84.59 | 20.45 | 28.5696 | |
| GP-BOOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 91.54 | 88.03 | 83.17 | 13.78 | 53.6171 | |
| Aug-MemOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 88.92 | 84.72 | 76.74 | 69.01 | 3.0238 | |
| REINVENTOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 87.97 | 84.43 | 79.13 | 31.63 | 31.5371 | |
| GraphGAOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 79.82 | 75.74 | 70.23 | 35.94 | 16.0579 |