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Hamiltonian matrix prediction on MD17 Ethanol (test)
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12.05
H Error (10^-6 Eh)
QHNetV2
11.6912
14.1131
16.535
18.9569
Jun 11, 2025
H Error (10^-6 Eh)
Epsilon Error (10^-6 Eh)
Psi Score (10^-2)
Updated 2mo ago
Evaluation Results
Method
Method
Links
H Error (10^-6 Eh)
Epsilon Error (10^-6 Eh)
Psi Score (10^-2)
QHNetV2
Training Strategies=LS...
2025.06
12.05
70.46
99.99
PhiSNet
Training Strategies=LS...
2025.06
20.09
102.04
99.81
QHNet
Training Strategies=LS...
2025.06
20.91
81.03
99.99
SPHNet
Training Strategies=LS...
2025.06
21.02
82.3
100
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