ResearchBenchmarksMolecular Property Prediction on MD17 BenzeneFollow0.187MAE Forces (kcal/mol/Å)DimeNet0.182080.215290.24850.28171Feb 5, 2022Evaluation ResultsMethodMethodLinksMAE Forces (kcal/mol/Å)MAE Energy (kcal/mol)DimeNetTraining Samples=1000Training Samples=10002022.020.1870.078PaiNNTraining Samples=1000Training Samples=10002022.020.187—NequIPTraining Samples=1000Training Samples=10002022.020.187—ETTraining Samples=1000,...Training Samples=1000, Evaluation=Averaged over three random splits2022.020.1960.058SchNetTraining Samples=1000Training Samples=10002022.020.310.08