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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 ForceNet-All 2.07 0.0313 0.00014 0.486 2.42 0.032 8.3e-05 0.473 2.02 0.0331 8.9e-05 0.457 2.54 0.0409 3.8e-05 0.492 2021/04/26
Open Catalyst Project ForceNet-Large-All 2.07 0.0278 0.000186 0.533 2.42 0.0283 8.6e-05 0.521 2.02 0.0309 0.000114 0.494 2.54 0.0375 4.4e-05 0.53 2021/04/26
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