Published March 8, 2026 | https://doi.org/10.59350/gw9at-srp84

CDK 2.12

Creators & Contributors

  • 1. ROR icon Maastricht University

Version 2.12 of the Chemistry Development Kit has been released. It is the last release with contributions by our NWO Open Science grant. This release adds some nice new APIs:

  • harmonize hydrogens to various states: depiction, stereo, minimal, and unsafe (useful for depictions)
  • generate wedge bonds based on coordinates and stereochemistry
  • more Markush / RGroup support
  • atropisomers via CXSMILES
  • sugar extraction

I also update the following libraries/tools to use CDK 2.12:

Additional details

Description

Version 2.12 of the Chemistry Development Kit has been released. It is the last release with contributions by our NWO Open Science grant.

Identifiers

GUID
https://doi.org/10.59350/gw9at-srp84
URL
https://chem-bla-ics.linkedchemistry.info/2026/03/08/cdk-2.12.html

Funding

Dutch Research Council
The Chemistry Development Kit in 2024: improving cheminformatics research osf232097

Dates

Issued
2026-03-08T00:00:00
Updated
2026-03-08T00:00:00