Molecule Generation on ZINC250k (test)
8.98PARP1ChemBFN
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| ChemBFNStrategy=strategy 4, Sampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 8.98 | 5.993 | 11.94 | 12.573 | 9.827 | |
| MOODSampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 7.017 | 0.733 | 18.673 | 5.24 | 9.2 | |
| ChemBFNStrategy=strategy 3, Sampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 4.893 | 5.426 | 5.96 | 4.74 | 5.367 | |
| FREEDSampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 3.627 | 1.107 | 10.187 | 2.067 | 4.52 | |
| GDSSSampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 1.933 | 0.368 | 4.667 | 0.167 | 1.167 | |
| HierVAESampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 0.553 | 0.007 | 0.507 | 0.207 | 0.227 | |
| REINVENTSampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 0.48 | 0.213 | 2.453 | 0.127 | 0.613 | |
| MORLDSampling Method=ODE-like, tau=0.5, Steps=100, Format=SMILES, Number of runs=52024.12 | 0.047 | 0.007 | 0.88 | 0.047 | 0.227 |