ResearchBenchmarksForce and Energy Prediction on rMD17 Ethanol + Malonaldehyde + Aspirin (test)Force and Energy Prediction on rMD17 Ethanol + Malonaldehyde + Aspirin (test)Follow1Force MAE (kcal/mol/Å)Joint FT0.682.8457.16Jun 2, 2026Evaluation resultsMethodMethodLinksForce MAE (kcal/mol/Å)Energy MAE (kcal/mol)Joint FTBackbone=M3GNetBackbone=M3GNet2026.0610.04GFFMergeBackbone=M3GNetBackbone=M3GNet2026.061.510.05Wt AvgBackbone=M3GNetBackbone=M3GNet2026.065.5810.16FisherBackbone=M3GNetBackbone=M3GNet2026.065.8210.2EMRBackbone=M3GNetBackbone=M3GNet2026.066.542.26TIESBackbone=M3GNetBackbone=M3GNet2026.06911.79