D3TaLES Public Dataset Created: April 2, 2025
Description: This dataset contains cleaned
data for 32,086 molecules marked as "public" in the D3TaLES database at the time
of this dataset's creation. This dataset excludes erroneous calculation data and molecules
without completed calculations for key properties.
This dataset's zip file also contains a README.md explaining
the zip file contents. The molecular and species properties included are documented
in the D3TaLES documentation.
Download here*
Depreciated D3TaLES Public Dataset Created: April 19, 2023
Description: Warning! This dataset is DEPRECIATED This dataset contains the data described in the article tilted
"D3TaLES database & data infrastructure for redox-active organic molecules". It contains
data for 39,583 molecules marked as "public" in the D3TaLES database at the time
of this dataset's creation. The molecular and species properties included are documented
in the D3TaLES documentation.
Download here*
* By downloading a D3TaLES dataset, you agree to the Terms of use
