The Chemistry Development Kit

CDK 2.12 was released: https://doi.org/10.5281/zenodo.18850648

The release notes are here: https://github.com/cdk/cdk/releases/tag/cdk-2.12

One new feature is support for atropisomers, see the screenshot

#openscience #cheminformatics

another speaker is confirmed:

- Prof dr Sonja Herres-Pawlis (RWTH Aachen University): “News from the InChI: making the InChI FAIR and including inorganics”

The CDK has had InChI support for many years and recently gained Reaction InChI support

https://cdk.github.io/nwo-openscience-2024/

#inchi #chemistry #cheminformatics #opensource

big new feature got merged into the main development branch today, the support for the reaction InChI, RInChI. The pull request is here: https://github.com/cdk/cdk/issues/1063

#chemistry #iupac #reaction #inchi #openscience #opensource