ResearchBenchmarksHamiltonian Prediction on MD17 Ethanol PBE/def2-SVPHamiltonian Prediction on MD17 Ethanol PBE/def2-SVPFollow12.15MAE (H)PhiSNet5.1452.457599.775147.0925Jun 6, 2024Evaluation resultsMethodMethodLinksMAE (H)MAE (Epsilon)Overlap Score (Psi)PhiSNetImplementation=originalImplementation=original2024.0612.1562.75100DEQHNet2024.0618.73106.94100PhiSNetImplementation=reproduceImplementation=reproduce2024.0620.09102.0499.81QHNet2024.0620.9181.0399.99DeepHData labeling=OpenMXData labeling=OpenMX2024.0622.09——SchNOrb2024.06187.4334.4100