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ResearchFormerly WizWand

Graph Neural Force Field Prediction on MD17 5-Task Mix

0.99Force RMSEJoint FT
0.63.23255.8658.4975Jun 2, 2026
Updated 4mo ago

Evaluation results

MethodLinks
Joint FTBackbone=M3GNet2026.060.990.03
GFFMergeBackbone=M3GNet2026.061.180.04
Joint FTBackbone=M3GNet2026.061.180.03
Joint FT SBBackbone=M3GNet2026.061.40.04
GFFMergeBackbone=M3GNet2026.062.170.07
Joint FT SBBackbone=M3GNet2026.062.80.09
FisherBackbone=M3GNet2026.063.132.52
Wt AvgBackbone=M3GNet2026.063.42.44
TIESBackbone=M3GNet2026.063.542.75
EMRBackbone=M3GNet2026.063.663.78
EMRBackbone=M3GNet2026.067.8212.93
Wt AvgBackbone=M3GNet2026.068.7610.24
TIESBackbone=M3GNet2026.069.199.17
FisherBackbone=M3GNet2026.0610.7410.09