Hamiltonian and Orbital Property Prediction
Benchmarks
DatasetSOTA methodMetricTrendResultsLast updated
31.5MAE (Hamiltonian all) [10^-6 Eh]
6
May 27, 2026
22.97MAE (Hamiltonian all)
5
May 27, 2026
84.97MAE Diagonal Hamiltonian [10^-6 Eh]
4
May 27, 2026
210.76MAE (Hamiltonian Diagonal)
2
Feb 26, 2026