Molecular Generation on fa7 (top-hit 5% docking score)
-11.235Top-Hit 5% Docking Score (kcal/mol)SoftMol
Evaluation results
| Method | Links | |
|---|---|---|
| SoftMolunconstrained=true2026.01 | -11.235 | |
| SoftMolunconstrained=false2026.01 | -11.031 | |
| f-RAG2026.01 | -9.899 | |
| GEAM2026.01 | -9.89 | |
| ChemBFNStrategy=strategy 3, Sampling steps=1,000, Representation format=SELFIES2024.12 | -9.527 | |
| ChemBFNStrategy=strategy 4, Sampling steps=1,000, Representation format=SELFIES2024.12 | -9.315 | |
| GenMol2026.01 | -8.967 | |
| FREED2026.01 | -8.378 | |
| FREEDSampling steps=1,000, Representation format=SELFIES2024.12 | -8.297 | |
| MOOD-S++2026.04 | -8.182 | |
| MOOD2026.01 | -8.16 | |
| MOODSampling steps=1,000, Representation format=SELFIES2024.12 | -8.16 | |
| MOOD2026.04 | -8.16 | |
| RationaleRL2026.01 | -8.129 | |
| PS-VAE2026.01 | -8.028 | |
| MARS2026.01 | -7.839 | |
| GDSSSampling steps=1,000, Representation format=SELFIES2024.12 | -7.775 | |
| JTVAE2026.01 | -7.683 | |
| GEGL2026.01 | -7.47 | |
| Graph-GA2026.01 | -7.365 | |
| Genetic GFN2026.01 | -7.288 | |
| REINVENT2026.01 | -7.205 | |
| REINVENTSampling steps=1,000, Representation format=SELFIES2024.12 | -7.205 | |
| HierVAE2026.01 | -6.812 | |
| HierVAESampling steps=1,000, Representation format=SELFIES2024.12 | -6.812 | |
| GA+D2026.01 | -6.539 | |
| MORLD2026.01 | -6.263 | |
| MORLDSampling steps=1,000, Representation format=SELFIES2024.12 | -6.263 | |
| RetMol2026.01 | -5.448 |