Property Optimization on PMV21 QED (test)
94.48AUC@1NFBO
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| NFBOOracle calls=1,0002026.05 | 94.48 | 92.99 | 87.35 | 37.39 | 4.8319 | |
| MOLWORLDOracle calls=1,0002026.05 | 94.48 | 92.79 | 86.78 | 5.01 | 29.9079 | |
| REINVENTOracle calls=1,0002026.05 | 94.42 | 92.79 | 87 | 97.63 | 0.0247 | |
| Aug-MemOracle calls=1,0002026.05 | 94.36 | 92.81 | 87.48 | 99.4 | 0.006 | |
| MolWorld2026.05 | 91.76 | 89.79 | 84.74 | 5.01 | 29.9079 | |
| GraphGAOracle calls=1,0002026.05 | 89.66 | 86.41 | 76.2 | 47.63 | 3.1177 | |
| GraphGA2026.05 | 89.64 | 85.91 | 74.13 | 47.63 | 3.1177 | |
| MOLLEOOracle calls=1,0002026.05 | 89.48 | 85.79 | 75.68 | 46.93 | 3.039 | |
| MOLLEO2026.05 | 89.43 | 85.59 | 74.05 | 46.93 | 3.039 | |
| REINVENT2026.05 | 88.16 | 60.47 | 8.98 | 97.63 | 0.0247 | |
| GP-BOOracle calls=1,0002026.05 | 82.94 | 77.5 | 68.6 | 20.33 | 12.5507 | |
| GP-BO2026.05 | 82.68 | 77.36 | 67.96 | 20.33 | 12.5507 | |
| Aug-Mem2026.05 | 69.61 | 17.86 | 1.8 | 99.4 | 0.006 |