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Force and Energy Prediction on MD17 Aspirin + Uracil revised (test)

1.22Force MAE (kcal/mol/Å)Joint FT
0.9722.6464.325.994Jun 2, 2026

Evaluation results

MethodLinks
Joint FTBackbone=M3GNet2026.061.220.03
GFFMergeBackbone=M3GNet2026.061.540.04
FisherBackbone=M3GNet2026.064.145.1
Wt AvgBackbone=M3GNet2026.064.394.35
EMRBackbone=M3GNet2026.064.951.13
TIESBackbone=M3GNet2026.067.4213.85