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Interatomic Force and Energy Prediction on COLL

23.1MAE ForcePET
22.96823.85924.7525.641May 30, 2023

Evaluation results

MethodLinks
PETtype=unsymmetrized (y0)2023.0523.112
PETtype=symmetrized (ys)2023.0523.111.9
GemNet2023.0526.4—
DimeNet++2023.05—47