Molecular Generation on 5ht1b (docking score)
-13.903Docking Score (Top-Hit 5%, kcal/mol)SoftMol
Evaluation results
| Method | Links | |
|---|---|---|
| SoftMolunconstrained=true2026.01 | -13.903 | |
| SoftMolunconstrained=false2026.01 | -13.733 | |
| f-RAG2026.01 | -12.67 | |
| ChemBFNStrategy=strategy 3, Sampling steps=1,000, Representation format=SELFIES2024.12 | -12.609 | |
| GEAM2026.01 | -12.374 | |
| ChemBFNStrategy=strategy 4, Sampling steps=1,000, Representation format=SELFIES2024.12 | -12.359 | |
| GenMol2026.01 | -11.914 | |
| MOOD-S++2026.04 | -11.231 | |
| MOOD2026.01 | -11.145 | |
| MOODSampling steps=1,000, Representation format=SELFIES2024.12 | -11.145 | |
| MOOD2026.04 | -11.145 | |
| FREED2026.01 | -10.714 | |
| FREEDSampling steps=1,000, Representation format=SELFIES2024.12 | -10.425 | |
| Graph-GA2026.01 | -10.422 | |
| PS-VAE2026.01 | -9.887 | |
| MARS2026.01 | -9.804 | |
| GDSSSampling steps=1,000, Representation format=SELFIES2024.12 | -9.459 | |
| JTVAE2026.01 | -9.382 | |
| GEGL2026.01 | -9.086 | |
| RationaleRL2026.01 | -9.005 | |
| Genetic GFN2026.01 | -8.973 | |
| REINVENT2026.01 | -8.77 | |
| REINVENTSampling steps=1,000, Representation format=SELFIES2024.12 | -8.77 | |
| GA+D2026.01 | -8.567 | |
| HierVAE2026.01 | -8.081 | |
| HierVAESampling steps=1,000, Representation format=SELFIES2024.12 | -8.081 | |
| MORLD2026.01 | -7.869 | |
| MORLDSampling steps=1,000, Representation format=SELFIES2024.12 | -7.869 | |
| RetMol2026.01 | -6.98 |