ResearchBenchmarksHamiltonian matrix prediction on MD17 Ethanol (test)Hamiltonian matrix prediction on MD17 Ethanol (test)Follow12.05H Error (10^-6 Eh)QHNetV211.691214.113116.53518.9569Jun 11, 2025Evaluation resultsMethodMethodLinksH Error (10^-6 Eh)Epsilon Error (10^-6 Eh)Psi Score (10^-2)QHNetV2Training Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0612.0570.4699.99PhiSNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0620.09102.0499.81QHNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0620.9181.0399.99SPHNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0621.0282.3100