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Force and Energy Prediction on rMD17 5-Task Mix (test)

0.83Force MAE (kcal/mol/Å)Joint FT
0.58042.26523.955.6348Jun 2, 2026

Evaluation results

MethodLinks
Joint FTBackbone=M3GNet2026.060.830.03
GFFMergeBackbone=M3GNet2026.061.580.06
EMRBackbone=M3GNet2026.065.619.66
Wt AvgBackbone=M3GNet2026.065.899.72
TIESBackbone=M3GNet2026.066.958.63
FisherBackbone=M3GNet2026.067.079.83