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Initial Structure to Relaxed Energy Prediction on OC20 IS2RE (OOD-ADS)

0.6115Energy MAE (eV)FAENET
0.6065920.6397210.672850.705979Jun 11, 2024

Evaluation results

MethodLinks
FAENETradius cutoff=6.0, interaction layers=5, hidden dimension=3842024.060.61152.95
MFAENETradius cutoff=6.0, interaction layers=5, hidden dimension=3842024.060.62032.96
EQUIFORMER2024.060.62712.93
SEGNN2024.060.64322.8
COMENET2024.060.66022.71
SPHERENET2024.060.66822.7
DIMENET++2024.060.72242.06
SCHNET2024.060.73422.22
GEMNET-T2024.060.73422.24