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QM9

A dataset of small molecules for benchmarking molecule generation methods. The dataset consists of fingerprints of the molecules, and the goal is to predict the original molecule from the fingerprint.

Data and Resources

This dataset has no data

Cite this as

Junde Li, Swaroop Ghosh (2024). Dataset: QM9. https://doi.org/10.57702/exp0m45r

DOI retrieved: November 25, 2024

Additional Info

Field Value
Created November 25, 2024
Last update December 2, 2024
Defined In https://doi.org/10.48550/arXiv.2305.07508
Citation
  • https://doi.org/10.48550/arXiv.2112.12563
  • https://doi.org/10.48550/arXiv.2307.15429
  • https://doi.org/10.48550/arXiv.2310.02970
  • https://doi.org/10.48550/arXiv.2207.08023
  • https://doi.org/10.48550/arXiv.2212.00449
  • https://doi.org/10.48550/arXiv.2402.12269
  • https://doi.org/10.48550/arXiv.2010.06477
  • https://doi.org/10.1038/s41524-022-00863-y
Author Junde Li
More Authors
Swaroop Ghosh
Homepage https://doi.org/10.1039/C4CC40091F