State-to-trajectory prediction on MD17 (test)
2.97Aspirin ErrorPAINET
Evaluation Results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| PAINETT=82025.10 | 2.97 | 2.21 | 2.13 | 1.12 | 1.8 | 2.81 | 1 | 2.25 | |
| GF-NODET=82025.10 | 3.04 | 2.34 | 2.15 | 1.13 | 2.14 | 2.93 | 1.01 | 2.41 | |
| EGNOT=82025.10 | 3.06 | 2.42 | 2.15 | 1.13 | 1.99 | 2.92 | 1.03 | 2.38 | |
| HEGNNT=82025.10 | 3.09 | 2.65 | 2.16 | 1.14 | 2.07 | 3 | 1.03 | 2.47 | |
| PAINETTask=S2T, T=8, Metric=A-MSE2025.10 | 8.84 | 4.87 | 4.55 | 1.26 | 3.24 | 7.88 | 1 | 5.06 | |
| GF-NODETask=S2T, T=8, Metric=A-MSE2025.10 | 9.25 | 5.48 | 4.63 | 1.28 | 4.58 | 8.61 | 1.03 | 5.82 | |
| EGNOTask=S2T, T=8, Metric=A-MSE2025.10 | 9.34 | 5.87 | 4.63 | 1.28 | 3.95 | 8.51 | 1.06 | 5.68 | |
| HEGNNTask=S2T, T=8, Metric=A-MSE2025.10 | 9.54 | 7.02 | 4.67 | 1.29 | 4.27 | 8.99 | 1.06 | 6.08 |