This record contains the data associated with the FORMED database of organic molecules. It contains three distinct file types: 

- Compressed tar.gz files containing xyz molecular structure files; 
- Compressed chemiscope.json.gz files containing json files for visualization with Chemiscope, which can be uploaded to https://chemiscope.org/ for visualization;
- csv files containing all the available information, including photophysical properties and substructure analysis.

Such files exist for the FORMED database [FORMED], a subset of selected representative dimers constructed from FORMED [dimers_selected], and a large pool of dimers for which predictions were made with ML [dimers_predicted].

We also provide the xyz files and corresponding smiles strings of the entire OSCAR!(DHBD) databse at a semiempirical level of theory [DHBD_xTB]. 

Additionally, we provide a jupyter notebook (chemiscopify.ipynb) that generates the Chemiscope json files from the csv and xyz files.