Open-source Cheminformtics Toolkits

18 July 202418 July 2024 chris

I’ve just updated the page on open-source cheminformatics toolkits, please let me know if I’ve missed any.

Open Source Cheminformatics Toolkits

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@macinchem.bsky.social 2 days

UCSF ChimeraX version 1.12 has been released

The latest upsdate of the popular Biomolecular visualisation tool ChimeraX has been releasded https://www.rbvi.ucsf.edu/chimerax/download.html This update includes -...

https://macinchem.org/2026/06/14/ucsf-chimerax-version-1-12-has-been-released/
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@macinchem.bsky.social 5 days

PyChem-Pro

I just stumbled across this when looking for something else. It looks very interesting A pure-Python desktop application and library for chemistry and cheminformatics — molecular visualization, SMILES parsing,...

https://macinchem.org/2026/06/11/pychem-pro-2/
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@macinchem.bsky.social 6 days

MOE update and window management

For a long time the computational chemistry and molecular modelling package MOE from Chemical Computing Group has required XQuartz to provide the windowing environment. With the introduction...
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@macinchem.bsky.social 7 days

This is a fantastic meeting and we are always delighted to provide as many bursaries as needed.
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@macinchem.bsky.social 2 weeks

AIRR compute opportunity: AI open access

This opportunity is open to UK-based researchers and artificial intelligence (AI) developers from academia, industry, public sector or other organisations. This funding...

https://macinchem.org/2026/06/04/airr-compute-opportunity-ai-open-access/

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