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Macinchem Blog

Open source Cheminformatics toolkits

15 July 202315 July 2023 chris

I have updated the page list open source cheminformatics toolkits.

To date it includes:-

OpenBabel (http://openbabel.org/wiki/Main_Page)

RDKit (http://www.rdkit.org)

CDK (https://cdk.github.io)

Indigo (http://lifescience.opensource.epam.com/indigo/)

OpenChemLib (https://github.com/Actelion/openchemlib/)

ChemDoodle Web Components (https://web.chemdoodle.com)

Kekule.js (http://partridgejiang.github.io/Kekule.js/index.html)

WebMolKit (https://github.com/aclarkxyz/web_molkit)

Chempy (https://pypi.org/project/chempy/)

If you know of any I’ve missed please let me know.

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