Team | Method Name | Energy MAE (eV) -- ID | Forces MAE (eV / A) -- ID | EFwT -- ID | Forces cosine -- ID | Energy MAE (eV) -- OOD Ads | Forces MAE (eV / A) -- OOD Ads | EFwT -- OOD Ads | Forces cosine -- OOD Ads | Energy MAE (eV) -- OOD Cat | Forces MAE (eV / A) -- OOD Cat | EFwT -- OOD Cat | Forces cosine -- OOD Cat | Energy MAE (eV) -- OOD Both | Forces MAE (eV / A) -- OOD Both | EFwT -- OOD Both | Forces cosine -- OOD Both | Submitted |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Open Catalyst Project | DimeNet++-1.8M-EFwT-All | 0.486 | 0.0443 | 0.000977 | 0.363 | 0.47 | 0.0458 | 0.000267 | 0.348 | 0.533 | 0.0444 | 0.000539 | 0.346 | 0.648 | 0.0558 | 0.000103 | 0.368 | 2021/02/16 |
Open Catalyst Project | DimeNet++-10.7M-Forceonly-All | 29.3 | 0.0281 | 1e-05 | 0.563 | 30 | 0.029 | 1e-06 | 0.55 | 30 | 0.0312 | 0 | 0.511 | 36.8 | 0.0371 | 0 | 0.552 | 2021/02/16 |
Open Catalyst Project | DimeNet++-1.8M-Forceonly-All | 28.2 | 0.0331 | 1.8e-05 | 0.487 | 28.9 | 0.0341 | 7e-06 | 0.472 | 28.9 | 0.034 | 0 | 0.46 | 34.9 | 0.0417 | 0 | 0.495 | 2021/02/16 |
Open Catalyst Project | SchNet-9M-Forceonly-All | 34 | 0.0443 | 0 | 0.359 | 33.8 | 0.0469 | 0 | 0.338 | 35.3 | 0.0459 | 0 | 0.328 | 38.5 | 0.059 | 0 | 0.34 | 2021/02/16 |