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Hamiltonian matrix prediction on MD17 Malondialdehyde (test)
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10.85
H ($10^{-6}$ Eh)
QHNetV2
10.4232
13.3041
16.185
19.0659
Jun 11, 2025
H ($10^{-6}$ Eh)
Epsilon ($10^{-6}$ Eh)
Psi ($10^{-2}$)
Updated 2mo ago
Evaluation Results
Method
Method
Links
H ($10^{-6}$ Eh)
Epsilon ($10^{-6}$ Eh)
Psi ($10^{-2}$)
QHNetV2
Training Strategies=LS...
2025.06
10.85
67.46
99.92
SPHNet
Training Strategies=LS...
2025.06
20.67
95.77
99.99
PhiSNet
Training Strategies=LS...
2025.06
21.31
100.6
99.89
QHNet
Training Strategies=LS...
2025.06
21.52
82.12
99.92
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