Molecular Generation on jak2 (top-hit 5% docking score)
-12.807Top-Hit 5% Docking Score (kcal/mol)SoftMol
Evaluation results
| Method | Links | |
|---|---|---|
| SoftMolunconstrained=true2026.01 | -12.807 | |
| SoftMolunconstrained=false2026.01 | -12.58 | |
| f-RAG2026.01 | -11.842 | |
| GEAM2026.01 | -11.816 | |
| ChemBFNStrategy=strategy 3, Sampling steps=1,000, Representation format=SELFIES2024.12 | -11.69 | |
| ChemBFNStrategy=strategy 4, Sampling steps=1,000, Representation format=SELFIES2024.12 | -11.666 | |
| GenMol2026.01 | -10.417 | |
| Graph-GA2026.01 | -10.167 | |
| MOOD-S++2026.04 | -10.163 | |
| MOOD2026.01 | -10.147 | |
| MOODSampling steps=1,000, Representation format=SELFIES2024.12 | -10.147 | |
| MOOD2026.04 | -10.147 | |
| FREED2026.01 | -9.735 | |
| FREEDSampling steps=1,000, Representation format=SELFIES2024.12 | -9.624 | |
| PS-VAE2026.01 | -9.464 | |
| RationaleRL2026.01 | -9.398 | |
| MARS2026.01 | -9.15 | |
| GDSSSampling steps=1,000, Representation format=SELFIES2024.12 | -8.926 | |
| JTVAE2026.01 | -8.885 | |
| GA+D2026.01 | -8.61 | |
| GEGL2026.01 | -8.601 | |
| Genetic GFN2026.01 | -8.539 | |
| HierVAE2026.01 | -8.285 | |
| HierVAESampling steps=1,000, Representation format=SELFIES2024.12 | -8.285 | |
| REINVENT2026.01 | -8.165 | |
| REINVENTSampling steps=1,000, Representation format=SELFIES2024.12 | -8.165 | |
| MORLD2026.01 | -7.816 | |
| MORLDSampling steps=1,000, Representation format=SELFIES2024.12 | -7.816 | |
| RetMol2026.01 | -7.133 |