Molecule Generation on GEOM Drugs (NLL and Stability)
-137.1NLLEDM
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| EDMLayers=4, Features per layer=256, Batch size=64, Learning rate=10-42022.03 | -137.1 | 81.3 | 1.41 | |
| GDM-augLayers=4, Features per layer=256, Batch size=64, Learning rate=10-4, Data augmentation=true2022.03 | -58.3 | 77.7 | 4.26 | |
| GDMLayers=4, Features per layer=256, Batch size=64, Learning rate=10-42022.03 | -14.2 | 75 | 3.32 |