Initial State to Relaxed Energy (IS2RE) on OC20 OOD Adsorbate (test)
0.565MAE (eV)GNS + Noisy Nodes
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| GNS + Noisy NodesLayers=1002021.06 | 0.565 | 0.035 | |
| SEGNN2021.10 | 0.6921 | 2.46 | |
| SphereNet2021.06 | 0.703 | 0.0229 | |
| SphereNet2021.10 | 0.703 | 2.29 | |
| EnergyNet2021.10 | 0.717 | 2.2 | |
| SpinConv2021.06 | 0.723 | 0.026 | |
| DimeNet++2021.06 | 0.725 | 0.0207 | |
| EdgeUpdateNet2021.10 | 0.7252 | 2.35 | |
| DimeNet++2021.10 | 0.7252 | 2.07 | |
| SchNet2021.06 | 0.734 | 0.0233 | |
| SchNet2021.10 | 0.7342 | 2.33 | |
| CGCNN2021.10 | 0.9155 | 1.93 | |
| Median baseline2021.10 | 1.8793 | 0.72 |