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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 6 days

Cambridge Cheminformatics Network meeting

The next Cambridge Cheminformatics Network Meeting is 11 November 2026, 4pm UK time at Cambridge Crystallographic Data Centre, Cambridge, UK and Online (Hybrid...
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@macinchem.bsky.social 6 days

ChemDraft and open-source chemical drawing package

A reader recently highlighted ChemDraft (https://chemdraft.ai). A lightweight, open-source (Apache-2.0) chemical drawing app for macOS and Windows. It is...
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@macinchem.bsky.social 6 days

A couple of interesting posts

I'm seeing an increasing number of useful utilities being developed using AI coding tools NISPO NISPO is an open-source, RDKit-based Python package for generating IUPAC names of molecules....

https://macinchem.org/2026/11/02/a-couple-of-interesting-posts/
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@macinchem.bsky.social 2 weeks

Burette Updated

Burette is a macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids. There is a review of Burette here it can...
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@macinchem.bsky.social 2 weeks

Avogadro Updated

Avogadro is an advanced open source molecular editor and visualization tool. Download and installation instructions are here...