QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules
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https://zenodo.org/record/8274792
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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.
创建时间：
2024-03-28
