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QM9 and ZINC datasets

The QM9 and ZINC datasets are used for molecule generation. The QM9 dataset contains ∼134,000 organic molecules with at most 9 atoms, and the ZINC dataset includes 250,000 drug-like molecules with at most 38 atoms.

Data and Resources

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Cite this as

Davide Rigoni, Nicolo' Navarin, Alessandro Sperduti (2024). Dataset: QM9 and ZINC datasets. https://doi.org/10.57702/rajdu35v

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Additional Info

Field Value
Created December 2, 2024
Last update December 2, 2024
Defined In https://doi.org/10.48550/arXiv.2004.08152
Citation
  • https://doi.org/10.48550/arXiv.2305.11699
Author Davide Rigoni
More Authors
Nicolo' Navarin
Alessandro Sperduti
Homepage https://github.com/drigoni/RGCVAE