ZINC250K

The ZINC250K dataset is a large dataset of molecules used for molecular design and generation. It contains 250,000 molecules with their corresponding properties and structures.

Data and Resources

Cite this as

Haote Li, Yu Shee, Brandon Allen, Federica Maschietto, Victor Batista (2024). Dataset: ZINC250K. https://doi.org/10.57702/tt0mov56

DOI retrieved: December 2, 2024

Additional Info

Field Value
Created December 2, 2024
Last update December 2, 2024
Defined In https://doi.org/10.48550/arXiv.2208.10718
Citation
  • https://doi.org/10.48550/arXiv.2310.08685
Author Haote Li
More Authors
Yu Shee
Brandon Allen
Federica Maschietto
Victor Batista
Homepage https://doi.org/10.1038/s41598-020-72218-3