Relaxed Adsorption-Energy Prediction on OC20 460k (test)
0.486MAE [eV]QE-Catalytic
Evaluation results
| Method | Links | ||
|---|---|---|---|
| QE-CatalyticTraining Data=OC20 (460k), Inference modality=joint graph and text2025.12 | 0.486 | 0.788 | |
| QE-CatalyticTraining Data=OC20 (460k), Inference modality=text-only2025.12 | 0.584 | 0.724 | |
| EquiformerV2Training Data=OC20 (460k)2025.12 | 0.682 | 0.651 | |
| DimeNet++Training Data=OC20 (460k)2025.12 | 0.713 | 0.584 | |
| EquiformerTraining Data=OC20 (460k)2025.12 | 0.814 | 0.439 | |
| GemNet-OCTraining Data=OC20 (460k)2025.12 | 0.841 | 0.428 | |
| PaiNNTraining Data=OC20 (460k)2025.12 | 0.926 | 0.338 | |
| SchNetTraining Data=OC20 (460k)2025.12 | 0.988 | 0.324 |