PC9_data.zip
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下载链接：
https://figshare.com/articles/dataset/PC9_data_zip/9033977
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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
