Energy Prediction on OC20 IS2RE-Direct (val)
0.5066Energy MAE (ID)SpinGTP
Evaluation results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| SpinGTPauxiliary loss=without noisy-node auxiliary loss, layers=6, attention heads=8, cutoff radius=5.0, radial basis functions=1282026.07 | 0.5066 | 0.651 | 0.513 | 0.5887 | 0.5648 | 5.07 | 2.58 | 5.06 | 2.85 | 3.89 | |
| Equiformerauxiliary loss=without noisy-node auxiliary loss2026.07 | 0.5088 | 0.6271 | 0.5051 | 0.5545 | 0.5489 | 4.88 | 2.93 | 4.92 | 2.98 | 3.93 | |
| EquiformerV2auxiliary loss=without noisy-node auxiliary loss2026.07 | 0.5161 | 0.7041 | 0.5245 | 0.6365 | 0.5953 | — | — | — | — | — | |
| GemNet-dTauxiliary loss=without noisy-node auxiliary loss2026.07 | 0.5561 | 0.7342 | 0.5659 | 0.6964 | 0.6382 | 4.51 | 2.24 | 4.37 | 2.38 | 3.38 | |
| SphereNetauxiliary loss=without noisy-node auxiliary loss2026.07 | 0.5632 | 0.6682 | 0.559 | 0.619 | 0.6024 | 4.56 | 2.7 | 4.59 | 2.7 | 3.64 | |
| DimeNet++auxiliary loss=without noisy-node auxiliary loss2026.07 | 0.5636 | 0.7127 | 0.5612 | 0.6492 | 0.6217 | 4.25 | 2.48 | 4.4 | 2.56 | 3.42 | |
| SchNetauxiliary loss=without noisy-node auxiliary loss2026.07 | 0.6465 | 0.7074 | 0.6475 | 0.6626 | 0.666 | 2.96 | 2.22 | 3.03 | 2.38 | 2.65 |