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Hamiltonian and Orbital Property Prediction on QH9 mol dynamic (test)
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210.76
MAE (Hamiltonian Diagonal)
DEQHNet
202.5108
258.1929
313.875
369.5571
Jun 6, 2024
MAE (Hamiltonian Diagonal)
MAE (Hamiltonian Non-Diagonal)
MAE (Hamiltonian All)
MAE (Orbital Energies Epsilon)
Fidelity (Orbital Coefficients Psi)
Updated 5mo ago
Evaluation Results
Method
Method
Links
MAE (Hamiltonian Diagonal)
MAE (Hamiltonian Non-Diagonal)
MAE (Hamiltonian All)
MAE (Orbital Energies Epsilon)
Fidelity (Orbital Coefficients Psi)
DEQHNet
2024.06
210.76
97.18
105.8
4,625.88
99.8
QHNet
2024.06
416.99
153.68
173.92
9,719.58
79.15
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