ResearchBenchmarksComputational Efficiency (Training Time) on rMD17 Ethanol + Malonaldehyde + Aspirin revisedComputational Efficiency (Training Time) on rMD17 Ethanol + Malonaldehyde + Aspirin revisedFollow79.41Training Time (s)GFFMerge49.7428249.9964450.25650.5036Jun 2, 2026Evaluation resultsMethodMethodLinksTraining Time (s)SpeedupGFFMergeBackbone=M3GNetBackbone=M3GNet2026.0679.4110.34Joint FTBackbone=M3GNetBackbone=M3GNet2026.06821.09—