Adsorption energy prediction on OC20 IS2RE (test)
0.3712MAEGemNet-XL
Evaluation results
| Method | Links | ||
|---|---|---|---|
| GemNet-XLApproach=Relaxation2022.03 | 0.3712 | 0.1113 | |
| GemNet-TApproach=Relaxation2022.03 | 0.3997 | 0.0986 | |
| SpinConvApproach=Relaxation2022.03 | 0.4343 | 0.079 | |
| GemNet-XL-FTApproach=Direct2022.03 | 0.4623 | 0.056 | |
| 3D-GraphormerApproach=Direct2022.03 | 0.4722 | 0.061 | |
| Noisy NodesApproach=Direct2022.03 | 0.4728 | 0.065 | |
| Uni-Mol+2024.02 | 414.3 | 8.23 | |
| TGT-At2024.02 | 414.7 | 8.3 | |
| DRFormer2024.02 | 450.9 | 6.48 | |
| Moleformer2024.02 | 458.5 | 6.48 | |
| EquiFormerAuxiliary=NN2024.02 | 466 | 5.66 | |
| Graphormer-3D2024.02 | 472.2 | 6.1 | |
| GNSAuxiliary=NN2024.02 | 472.8 | 6.51 | |
| SphereNet2024.02 | 618.8 | 3.32 | |
| DimeNet++2024.02 | 631 | 3.21 | |
| SchNet2024.02 | 684.8 | 2.61 |