HamGNN Si-300K training related files in the SLEM paper
收藏NIAID Data Ecosystem2026-05-02 收录
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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
