遇见数据集

PC9_data.zip

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Figshare2019-10-18 更新2026-04-08 收录
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资源简介:

PubChemQC subset of molecules with H, C, N, O and F and up to 9 "heavy" atoms.XYZ have been structured to mimic QM9 dataset. A list of molecules with spin multiplicities >1 is also provided.

创建时间:
2019-10-18
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