ResearchBenchmarksHamiltonian matrix prediction on MD17 Uracil (test)Hamiltonian matrix prediction on MD17 Uracil (test)Follow10.38H Error ($10^{-6}$ Eh)QHNetV29.990412.620215.2517.8798Jun 11, 2025Evaluation resultsMethodMethodLinksH Error ($10^{-6}$ Eh)Epsilon Error ($10^{-6}$ Eh)Psi ScoreQHNetV2Training Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0610.38107.4299.91PhiSNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0618.65143.3699.86SPHNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0619.36118.2199.99QHNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0620.12113.4499.89