QM7 (QCArchive View Formatted)
收藏数据链接：
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资源简介：
Data curated by the QCArchive team, originally sourced from qmml.org and quantum-machine.org. Small organic molecules with up to 7 heavy atoms, sampled from GDB-13 and optimized at the PBE0 level of theory. All molecules are neutral singlets. For more information, see http://qcarchive.molssi.org/apps/ml_datasets/.
提供机构：
MolSSI创建时间：
2019-11-11
