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Molecular Dynamics Rollout RDF Comparison on MD22 Ac-Ala3+DHA

0.0006JSDJoint FT
0.000560.000830.00110.00137Jun 2, 2026

Evaluation results

MethodLinks
Joint FTBackbone=M3GNet2026.060.00063.75
GFFMergeBackbone=M3GNet2026.060.00073.67
Wt AvgBackbone=M3GNet2026.060.0015.47
FisherBackbone=M3GNet2026.060.00115.7
Joint FT SBBackbone=M3GNet2026.060.00124.67
TIESBackbone=M3GNet2026.060.00146.67
EMRBackbone=M3GNet2026.060.00167.77