Molecular Property Prediction on solvated protein fragments (test)
0.95MAE Energy (kcal/mol)PhysNet-ens5
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| PhysNet-ens5ensemble size=5, long-range interactions=with (Eq. 12)2019.02 | 0.95 | 0.05 | 0.72 | 0.054 | 0.003 | |
| PhysNetaveraging=five independent runs, long-range interactions=with (Eq. 12)2019.02 | 1.03 | 0.054 | 0.88 | 0.06 | 0.004 |