Resources

Digichem paper-2

The Digichem Paper

Digichem is based on published research. See below for appropriate citations to include in your work.

Citing the paper
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If you use Digichem in the course of your research, please cite the Digichem paper in the main body of your manuscript. Our recommended citation is as follows:

 

Oliver S. Lee, Malte C. Gather, and Eli Zysman-Colman, Digital Discovery, 2024, 3, 1695-1713

 

You can download an example bibtex file here.

Citing the program
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We also recommend you cite the specific version of Digichem (or versions plural) that you have used in your research. You can do this with a software citation such as the following:

 

O. S. Lee and E. Zysman-Colman, Digichem (v6.7), In-Silico Computing, St Andrews, Scotland, 2025

 

You can download an example bibtex file here.

Digicore 6 - For code enthusiasts

Based on our original Digichem publication, we offer some of the core functionality of the digichem suite as an open-source python library. Our way of giving back to the community.