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Graph Neural Force Field Prediction on MD17 Aspirin+Uracil

1.23Force RMSEJoint FT
1.12881.81192.4953.1781Jun 2, 2026

Evaluation results

MethodLinks
Joint FTBackbone=M3GNet2026.061.230.04
GFFMergeBackbone=M3GNet2026.061.320.04
FisherBackbone=M3GNet2026.062.030.83
Joint FT SBBackbone=M3GNet2026.062.110.08
Wt AvgBackbone=M3GNet2026.062.381.13
EMRBackbone=M3GNet2026.062.811.8
TIESBackbone=M3GNet2026.063.764.02