OC20
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| S2EF (Structure to Energy and Forces) | OC20 average across all four splits (val) | Force MAE (meV/Å)0.297 | 30 | |
| S2EF (Structure to Energy and Forces) | OC20 average across all four splits (test) | Force MAE (meV/Å)19 | 27 | |
| Structure to Energy and Forces | OC20 S2EF 2M (val) | Energy MAE286 | 26 | |
| Initial Structure to Relaxed Energy | OC20 IS2RE (val) | Energy MAE (ID)0.3795 | 24 | |
| Initial Structure to Relaxed Energy | OC20 IS2RE (Out-of-Domain Both) | Energy MAE (eV)0.619 | 13 | |
| Initial Structure to Relaxed Energy | OC20 IS2RE (ID) | Energy MAE (eV)0.5327 | 13 | |
| Initial State to Relaxed Energy (IS2RE) | OC20 IS2RE OOD Adsorbate (test) | MAE (eV)0.565 | 13 | |
| Structure to Energy and Forces | OC20 S2EF (test) | Energy MAE (meV)219 | 12 | |
| Initial Structure to Relaxed Energy | OC20 IS2RE Direct (test) | Energy MAE (ID)516 | 11 | |
| Relaxed adsorption-energy prediction | OC20 460k (test) | MAE [eV]0.486 | 8 | |
| Adsorbate placement | OC20 Dense (OOD) | SR@132 | 4 | |
| Adsorbate placement | OC20-Dense 44 systems (ID) | SR@134.1 | 4 | |
| Adsorption-energy prediction | OC20 16k Dense | Improvement MAE vs CatBERTa (%)-7.38 | 3 | |
| Adsorption-energy prediction | OC20 (460k) | Improvement MAE (%) vs CatBERTa-9.82 | 3 |
Showing 14 of 14 rows