Tuesday, October 6, 2020

DOIs for RDKit releases

A quick one on something that came up in a chat during the 2020 Virtual RDKit UGM that is generally useful and perhaps not as well known as it should be.

We've set things up with the RDKit so that every release we do is automatically assigned a DOI. This is a service provided by Zenodo, which is also the repository (in the archival sense, not the source-code sense) storing the release artifacts.

You can see the DOI for the most recent RDKit release in the READMEmd in the github UI:

Clicking on that little banner will take you to the RDKit page at Zenodo, where you can see all the releases they've archived:


This can be super useful if you want the DOI for the specific RDKit release you are using in that paper you're working on.

Note: if you're using github to do software releases and would like to get DOIs for those releases, it's really easy to set this up.




2 comments:

SteveR said...

Thanks Greg - I wondered how you did that! That's a really nice feature - I should maybe look into doing that for the Vernalis KNIME code now that that is hosted on github

Tel U said...

Why does this blog post titled "DOIs for RDKit Releases" on rdkit.blogspot.com from October 2020 discuss the use of DOIs for RDKit releases? Tel U