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QM9

The QM9 dataset contains approximately 133,000 organic molecules composed of elements such as H, C, N, O, and F, used for predicting molecular properties like internal energy.

Data and Resources

Cite this as

Raghunathan Ramakrishnan, Pavlo O Dral, Matthias Rupp, O Anatole von Lilienfeld (2024). Dataset: QM9. https://doi.org/10.57702/exp0m45r

DOI retrieved: November 25, 2024

Additional Info

Field Value
Created November 25, 2024
Last update November 25, 2024
Defined In https://doi.org/10.48550/arXiv.1810.09751
Author Raghunathan Ramakrishnan
More Authors
Pavlo O Dral
Matthias Rupp
O Anatole von Lilienfeld