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Benchmarks
Hamiltonian matrix prediction on MD17 Uracil (test)
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10.38
H Error ($10^{-6}$ Eh)
QHNetV2
9.9904
12.6202
15.25
17.8798
Jun 11, 2025
H Error ($10^{-6}$ Eh)
Epsilon Error ($10^{-6}$ Eh)
Psi Score
Updated 2mo ago
Evaluation Results
Method
Method
Links
H Error ($10^{-6}$ Eh)
Epsilon Error ($10^{-6}$ Eh)
Psi Score
QHNetV2
Training Strategies=LS...
2025.06
10.38
107.42
99.91
PhiSNet
Training Strategies=LS...
2025.06
18.65
143.36
99.86
SPHNet
Training Strategies=LS...
2025.06
19.36
118.21
99.99
QHNet
Training Strategies=LS...
2025.06
20.12
113.44
99.89
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