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Molecular Dynamics Rollout RDF Comparison on MD17 Eth+Mal+Asp

0.009JSDGFFMerge
0.0089160.0094830.010050.010617Jun 2, 2026

Evaluation results

MethodLinks
GFFMergeBackbone=M3GNet2026.060.00915.91
Joint FT SBBackbone=M3GNet2026.060.009317.22
Wt AvgBackbone=M3GNet2026.060.009418.2
Joint FTBackbone=M3GNet2026.060.010118.62
EMRBackbone=M3GNet2026.060.010219.92
FisherBackbone=M3GNet2026.060.010518.18
TIESBackbone=M3GNet2026.060.011119.3