COMP6 (QCArchive View Formatted)
The MolSSI QCArchive Team · Figshare · 2019
Data curated by the QCArchive team, originally sourced from https://github.com/isayev/COMP6. Reference calculations are performed at the ωB97x/6-31g* level of theory. All molecules are neutral singlets. For more information, see http://qcarchive.molssi.org/apps/ml_datasets.