Public Leaderboard

See the latest results and submit your own on the evaluation server!                                                                                 

Team Method Name Energy MAE (eV) -- ID EwT -- ID Energy MAE (eV) -- OOD Ads EwT -- OOD Ads Energy MAE (eV) -- OOD Cat EwT -- OOD Cat Energy MAE (eV) -- OOD Both EwT -- OOD Both Submitted
EnergyNet EnergyNet 0.626 0.0312 0.779 0.02 0.633 0.0312 0.74 0.0213 2021/07/17
EnergyNet 1.82 0.00469 2.01 0.00217 1.81 0.00469 1.91 0.00268 2021/07/07
Deep Mind Noisy Nodes (Direct) 0.478 0.0571 0.565 0.0349 0.493 0.0502 0.504 0.0382 2021/06/20
AMLab UvA Steerable GNN (IS2RE data only, no relaxations) 0.533 0.0537 0.692 0.0246 0.537 0.0492 0.679 0.0263 2021/06/12
Open Catalyst Project SchNet-fonly-eonly-relaxation-All 0.708 0.0416 0.742 0.0298 0.798 0.0338 0.749 0.0271 2021/06/11
mila DimeNet++-atomlayer-All 0.552 0.0489 0.747 0.0259 0.557 0.0459 0.688 0.0233 2021/06/07
Open Catalyst Project DimeNet++-1.8M-fonly-eonly-relaxation-All 0.512 0.0612 0.574 0.0429 0.594 0.0507 0.613 0.0385 2021/06/04
FAIR + CMU spinconv-ewt-all 0.558 0.0408 0.723 0.0226 0.569 0.0382 0.674 0.0233 2021/06/04
Open Catalyst Project DimeNet++-Large-Force-only Relaxations + DimeNet++-Energy-only 0.503 0.0657 0.543 0.0434 0.579 0.0509 0.611 0.0393 2021/06/04
Open Catalyst Project DimeNet++-Relaxations 0.691 0.0425 0.686 0.0336 0.703 0.0376 0.683 0.0352 2021/06/04
FAIR + CMU spinconv-force-centric-relaxation-all 0.421 0.094 0.438 0.0747 0.458 0.0816 0.42 0.0656 2021/06/03
Catalyst Cowboys DNN++ EXP Mod 0.78 0.023 0.905 0.0166 0.771 0.0226 0.857 0.0164 2021/06/01
Catalyst Cowboys Regular Dimenet++ 10k 0.798 0.025 0.856 0.0197 0.786 0.024 0.801 0.0187 2021/05/28
Catalyst Cowboys 0.79 0.0229 0.921 0.0177 0.783 0.0211 0.848 0.0169 2021/05/27
DIVE@TAMU SphereNet 0.563 0.0447 0.703 0.0229 0.571 0.0409 0.638 0.0241 2021/03/31
Open Catalyst Project CGCNN-5M-All 0.615 0.034 0.915 0.0193 0.622 0.031 0.851 0.02 2021/02/18
Open Catalyst Project SchNet-1.2M-All 0.639 0.0296 0.734 0.0233 0.662 0.0294 0.704 0.0221 2021/02/17
Open Catalyst Project DimeNet++-1.8M-All 0.562 0.0425 0.725 0.0207 0.576 0.041 0.661 0.0241 2021/02/16