Molecule Property Optimization on PMV qed 21
91.76AUC@1MolWorld
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MolWorldOracle calls=1000, Number of runs=32026.05 | 91.76 | 89.79 | 84.74 | 5.01 | 29.9079 | |
| GraphGAOracle calls=1000, Number of runs=32026.05 | 89.64 | 85.91 | 74.13 | 47.63 | 3.1177 | |
| MOLLEOOracle calls=1000, Number of runs=32026.05 | 89.43 | 85.59 | 74.05 | 46.93 | 3.039 | |
| REINVENTOracle calls=1000, Number of runs=32026.05 | 88.16 | 60.47 | 8.98 | 97.63 | 0.0247 | |
| GP-BOOracle calls=1000, Number of runs=32026.05 | 82.68 | 77.36 | 67.96 | 20.33 | 12.5507 | |
| Aug-MemOracle calls=1000, Number of runs=32026.05 | 69.61 | 17.86 | 1.8 | 99.4 | 0.006 |