QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
收藏官方服务：
资源简介：
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.
提供机构：
Zenodo创建时间：
2024-03-28
