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Molecular Dynamics Rollout RDF Comparison on MD22 (Ac-Ala3+AT)

0.0013JSDJoint FT
0.001180.001990.00280.00361Jun 2, 2026

Evaluation results

MethodLinks
Joint FTBackbone=M3GNet2026.060.00135.41
Joint FT SBBackbone=M3GNet2026.060.0025.58
FisherBackbone=M3GNet2026.060.00237.11
GFFMergeBackbone=M3GNet2026.060.00235.48
Wt AvgBackbone=M3GNet2026.060.00336.73
TIESBackbone=M3GNet2026.060.003712.12
EMRBackbone=M3GNet2026.060.00437.07