QM7b dataset

A dataset of 6868 molecules from the QM7b dataset that contains only CHNO atoms.

Data and Resources

Cite this as

Jigyasa Nigam, Michael J. Willatt, Michele Ceriotti (2025). Dataset: QM7b dataset. https://doi.org/10.57702/ab6gzney

DOI retrieved: January 3, 2025

Additional Info

Field Value
Created January 3, 2025
Last update January 3, 2025
Defined In https://doi.org/10.1063/5.0072784
Author Jigyasa Nigam
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Michael J. Willatt
Michele Ceriotti
Homepage https://doi.org/10.5281/zenodo.55478563