| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| 3BPA 1200 K | TACE | Energy RMSE (meV)23.42 | 22 | 23d ago | |
| 3BPA 600 K | TACE | Energy RMSE (meV)8.1 | 22 | 23d ago | |
| 3BPA 300 K | TACE | Energy RMSE (meV)2.69 | 22 | 23d ago | |
| Liquid water 32-water system revPBE0-D3 (test) | TACE | Energy RMSE (meV/atom)0.58 | 11 | 4mo ago | |
| OMol25-4M (val) | Tetrahedron | Energy MAE/Atom (meV)1.12 | 8 | 1mo ago | |
| MD22 Double-walled nanotube (test) | Energy MAE0.116 | 8 | 5mo ago | ||
| MD22 Buckyball catcher (test) | Energy MAE0.112 | 8 | 5mo ago | ||
| MD22 AT-AT-CG-CG (test) | ViSNet-LSRM | Energy MAE0.042 | 8 | 5mo ago | |
| MD22 AT-AT (test) | ViSNet-LSRM | Energy MAE0.056 | 8 | 5mo ago | |
| MD22 Stachyose (test) | ICTPsym | Energy MAE0.053 | 8 | 5mo ago | |
| MD22 DHA (test) | ViSNet-LSRM | Energy MAE0.068 | 8 | 5mo ago | |
| MD22 Ac-Ala3-NHMe (test) | MACE | Energy MAE0.064 | 8 | 5mo ago | |
| LAM | Ours | Al∪Mg∪Cu Energy MAE1.1 | 7 | 1mo ago | |
| rMD17 | sparse equivariant fine-tuning | Aspirin Energy MAE0.17 | 7 | 1mo ago | |
| Na8/9Cl8+ (test) | SO3KRATES | Energy RMSE (meV/atom)0.455 | 6 | 5mo ago | |
| C10H2 / C10H2+ (test) | SO3KRATES | Energy RMSE (meV/atom)0.113 | 6 | 5mo ago | |
| Au2-MgO (test) | SO3KRATES | Energy RMSE (meV/atom)0.062 | 5 | 5mo ago | |
| 3BPA (Dihedral split) | MACE | RMSE Energy (meV)7.8 | 4 | 23d ago | |
| MACE-OFF | DES370K Dimers Energy Error (meV/atom)0.5 | 4 | 2mo ago | ||
| MPtrj (val) | Denoising-pretrained Orb-v1 | Energy MAE (meV)210 | 3 | 4mo ago |
