ResearchBenchmarksHamiltonian Prediction on MD17 Uracil (PBE/def2-SVP)Hamiltonian Prediction on MD17 Uracil (PBE/def2-SVP)Follow10.73MAE Hamiltonian (H)PhiSNet2.047260.6561119.265177.8739Jun 6, 2024Evaluation resultsMethodMethodLinksMAE Hamiltonian (H)MAE Orbital Energies (\u03b5)Overlap Score (\u03c8)PhiSNetImplementation=originalImplementation=original2024.0610.7384.03100DEQHNet2024.0615.07107.4999.89DeepHData labeling=OpenMXData labeling=OpenMX2024.0617.27——PhiSNetImplementation=reproduceImplementation=reproduce2024.0618.65143.3699.86QHNet2024.0620.12113.4499.89SchNOrb2024.06227.81,76090