Molecular Generation on FA7 (Novel hit ratio)
585.3Novel Hit RatioChemBFN
Evaluation Results
| Method | Links | |
|---|---|---|
| ChemBFNstrategy=strategy 4, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 585.3 | |
| ChemBFNstrategy=strategy 1, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 582.7 | |
| ChemBFNstrategy=strategy 2, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 556.7 | |
| ChemBFNstrategy=strategy 3, sampling steps=1,000, format=SMILES, number of runs=52024.12 | 452 | |
| FREEDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 110.7 | |
| MOOD-S++2026.04 | 90 | |
| MOODsampling steps=1,000, format=SMILES, number of runs=52024.12 | 73.3 | |
| MOOD2026.04 | 73.3 | |
| GDSSsampling steps=1,000, format=SMILES, number of runs=52024.12 | 36.8 | |
| REINVENTsampling steps=1,000, format=SMILES, number of runs=52024.12 | 21.3 | |
| SDG2025.07 | 1.156 | |
| FREED2025.07 | 1.107 | |
| SDG♢variant=Langevin2025.07 | 0.956 | |
| SDG♡2025.07 | 0.915 | |
| MOOD2025.07 | 0.733 | |
| MORLDsampling steps=1,000, format=SMILES, number of runs=52024.12 | 0.7 | |
| HierVAEsampling steps=1,000, format=SMILES, number of runs=52024.12 | 0.7 | |
| GDSS2025.07 | 0.368 | |
| SDG♣variant=Stein2025.07 | 0.299 | |
| HierVAE2025.07 | 0.007 | |
| MORLD2025.07 | 0.007 |