ResearchBenchmarksHamiltonian Matrix Prediction on MD17 Water (test)Hamiltonian Matrix Prediction on MD17 Water (test)Follow10.36H Error (10^-6 Eh)QHNet9.847213.308616.7720.2314Jun 11, 2025Evaluation resultsMethodMethodLinksH Error (10^-6 Eh)Epsilon Error (10^-6 Eh)Psi Score (10^-2)QHNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0610.3636.2199.99PhiSNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0617.5985.53100QHNetV2Training Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0622.55106.6499.99SPHNetTraining Strategies=LS...Training Strategies=LSW (10,000, 200,000)2025.0623.18182.29100