Initial State to Relaxed Energy (IS2RE) on OC20 IS2RE ID (test)
0.422eV MAEGNS + Noisy Nodes
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| GNS + Noisy NodesLayers=1002021.06 | 0.422 | 0.091 | |
| SpinConv2021.06 | 0.558 | 0.0408 | |
| DimeNet++2021.06 | 0.562 | 0.0425 | |
| SphereNet2021.06 | 0.563 | 0.0447 | |
| SchNet2021.06 | 0.639 | 0.0296 |