HamGNN Si-300K training related files in the SLEM paper
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https://zenodo.org/record/12721132
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HamGNN Si-300K training related files in the SLEM paper
NOTE: the unit in graph_data.npz file is Bohr/Hartree, and the format of Hamiltonian is ABACUS.
创建时间：
2024-07-11
