ResearchBenchmarksHamiltonian and Orbital Property Prediction on QH9 mol dynamic (test)Hamiltonian and Orbital Property Prediction on QH9 mol dynamic (test)Follow210.76MAE (Hamiltonian Diagonal)DEQHNet202.5108258.1929313.875369.5571Jun 6, 2024Evaluation resultsMethodMethodLinksMAE (Hamiltonian Diagonal)MAE (Hamiltonian Non-Diagonal)MAE (Hamiltonian All)MAE (Orbital Energies Epsilon)Fidelity (Orbital Coefficients Psi)DEQHNet2024.06210.7697.18105.84,625.8899.8QHNet2024.06416.99153.68173.929,719.5879.15