Molecular Generation on parp1
215Number of CirclesSoftMol
Evaluation results
| Method | Links | |
|---|---|---|
| SoftMolConstraint setting=Constrained2026.01 | 215 | |
| SoftMolConstraint setting=Unconstrained2026.01 | 160.3 | |
| GEAMConstraint setting=Constrained2026.01 | 123 | |
| MOODConstraint setting=Constrained2026.01 | 86.4 | |
| RationaleRLConstraint setting=Constrained2026.01 | 61.3 | |
| f-RAGConstraint setting=Constrained2026.01 | 54.7 | |
| REINVENTConstraint setting=Constrained2026.01 | 44.2 | |
| PS-VAEConstraint setting=Constrained2026.01 | 38 | |
| FREEDConstraint setting=Constrained2026.01 | 34.8 | |
| HierVAEConstraint setting=Constrained2026.01 | 4.8 | |
| GenMolConstraint setting=Constrained2026.01 | 3 | |
| MORLDConstraint setting=Constrained2026.01 | 1.4 |