GDB-17

The GDB-17 dataset is systematically generated based on the molecular connectivity graphs and covers a complete and unbiased enumeration of the chemical compound space of small and stable organic molecules.

Data and Resources

Cite this as

Gebauer, Gastegger, Sch¨utt (2024). Dataset: GDB-17. https://doi.org/10.57702/8ok480q6

DOI retrieved: December 3, 2024

Additional Info

Field Value
Created December 3, 2024
Last update December 3, 2024
Defined In https://doi.org/10.48550/arXiv.2010.06477
Author Gebauer
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Gastegger
Sch¨utt
Homepage https://doi.org/10.1039/C2CC40091F