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Molecular Dynamics Rollout RDF Comparison on MD17 5-Task Mix

0.006JSDFisher
0.0058960.0065980.00730.008002Jun 2, 2026

Evaluation results

MethodLinks
FisherBackbone=M3GNet2026.060.00612.59
Joint FT SBBackbone=M3GNet2026.060.006412.95
GFFMergeBackbone=M3GNet2026.060.006613.29
Wt AvgBackbone=M3GNet2026.060.006913.74
Joint FTBackbone=M3GNet2026.060.007213.38
EMRBackbone=M3GNet2026.060.008115.27
TIESBackbone=M3GNet2026.060.008616.72