Molecular Generation on parp1 (top-hit 5% docking score)
-14.168Top-Hit 5% Docking Score (kcal/mol)SoftMol
Evaluation results
| Method | Links | |
|---|---|---|
| SoftMolunconstrained=true2026.01 | -14.168 | |
| SoftMolunconstrained=false2026.01 | -13.977 | |
| f-RAG2026.01 | -12.945 | |
| GEAM2026.01 | -12.891 | |
| ChemBFNStrategy=strategy 3, Sampling steps=1,000, Representation format=SELFIES2024.12 | -12.455 | |
| ChemBFNStrategy=strategy 4, Sampling steps=1,000, Representation format=SELFIES2024.12 | -12.358 | |
| GenMol2026.01 | -11.773 | |
| MOOD-S++2026.04 | -10.961 | |
| Graph-GA2026.01 | -10.949 | |
| MOOD2026.01 | -10.865 | |
| MOODSampling steps=1,000, Representation format=SELFIES2024.12 | -10.865 | |
| MOOD2026.04 | -10.865 | |
| RationaleRL2026.01 | -10.663 | |
| FREED2026.01 | -10.579 | |
| FREEDSampling steps=1,000, Representation format=SELFIES2024.12 | -10.427 | |
| PS-VAE2026.01 | -9.978 | |
| GDSSSampling steps=1,000, Representation format=SELFIES2024.12 | -9.967 | |
| MARS2026.01 | -9.716 | |
| HierVAE2026.01 | -9.487 | |
| HierVAESampling steps=1,000, Representation format=SELFIES2024.12 | -9.487 | |
| JTVAE2026.01 | -9.482 | |
| GEGL2026.01 | -9.329 | |
| Genetic GFN2026.01 | -9.227 | |
| REINVENT2026.01 | -8.702 | |
| REINVENTSampling steps=1,000, Representation format=SELFIES2024.12 | -8.702 | |
| RetMol2026.01 | -8.59 | |
| GA+D2026.01 | -8.365 | |
| MORLD2026.01 | -7.532 | |
| MORLDSampling steps=1,000, Representation format=SELFIES2024.12 | -7.532 |