Out-of-distribution Molecular Generation on ZINC250k
33.24PARP1ChemBFN
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| ChemBFNstrategy=4, Sampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 33.24 | 30.133 | 30.933 | 29.033 | 42.133 | |
| ChemBFNstrategy=3, Sampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 31.547 | 31.46 | 25.047 | 26.893 | 34.06 | |
| MOODSampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 7.017 | 0.733 | 18.673 | 5.24 | 9.2 | |
| FREEDSampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 3.627 | 1.107 | 10.187 | 2.067 | 4.52 | |
| GDSSSampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 1.933 | 0.368 | 4.667 | 0.167 | 1.167 | |
| HierVAESampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 0.553 | 0.007 | 0.507 | 0.207 | 0.227 | |
| REINVENTSampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 0.48 | 0.213 | 2.453 | 0.127 | 0.613 | |
| MORLDSampling steps=1000, Format=SELFIES, Number of runs=52024.12 | 0.047 | 0.007 | 0.88 | 0.047 | 0.227 |