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Benchmarks
Hamiltonian Matrix Prediction on MD17 Water (test)
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10.36
H Error (10^-6 Eh)
QHNet
9.8472
13.3086
16.77
20.2314
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)
QHNet
Training Strategies=LS...
2025.06
10.36
36.21
99.99
PhiSNet
Training Strategies=LS...
2025.06
17.59
85.53
100
QHNetV2
Training Strategies=LS...
2025.06
22.55
106.64
99.99
SPHNet
Training Strategies=LS...
2025.06
23.18
182.29
100
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