Force Prediction on PE (Polyethylene) (test)
5.59EMARE (C)trimmed SchNet
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| trimmed SchNetTrain dataset=PE2025.03 | 5.59 | 0.41 | 0.71 | |
| trimmed SchNetTrain dataset=PE+PVC2025.03 | 6.46 | 0.54 | 0.88 | |
| trimmed SchNetTrain dataset=PE+PP2025.03 | 6.54 | 0.44 | 0.79 | |
| trimmed SchNetTrain dataset=PE+PP+PVC2025.03 | 7.11 | 0.48 | 0.86 | |
| trimmed SchNetTrain dataset=PP2025.03 | 15.15 | 0.46 | 1.3 | |
| trimmed SchNetTrain dataset=PVC2025.03 | 43.13 | 3.53 | 5.78 |