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Molecular Property Prediction on MD17 Toluene (1k train points)

0.05Force MAE (kcal/mol/Å)

NEQUIP

0.043360.088180.1330.17782May 28, 2022
Updated 4d ago

Evaluation Results

MethodLinks
2022.05
0.050.09
2022.05
0.06-
2022.05
0.0730.095
2022.05
0.0870.094
2022.05
0.0880.094
2022.05
0.1020.097
2022.05
0.2160.102