Property-conditioned molecule generation on ZINC250K (test)
5.38MAE (parp1)Twigs
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| TwigsStem process=single stem, Architecture=described in B.22024.10 | 5.38 | 4.3 | 5.43 | 5.28 | 5.01 | |
| MOODGuidance scheme=classifier-based guidance, OOD coefficient=0.012024.10 | 5.41 | 4.33 | 5.52 | 5.36 | 5.09 | |
| MOODGuidance scheme=classifier-based guidance, OOD coefficient=0.042024.10 | 5.42 | 4.33 | 5.52 | 5.37 | 5.1 | |
| GDSSGuidance scheme=diffusion guidance (classifier-free)2024.10 | 5.56 | 4.76 | 5.78 | 5.73 | 5.98 |