QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules

This is the official QH9 datasets from paper 'QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules'.  QH9 is a new  Quantum Hamiltonian dataset providing precise Hamiltonian matrices for 130,831 stable molecular geometries, based on the QM9 dataset. Here is the QH9Stable dataset which is used in QH-Stable-iid and QH-Stable-ood.