PyMOL 3.0 New Features

28 March 202428 March 2024 chris

An excellent brief introduction to PyMOL 3.0.

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@macinchem.bsky.social 23 hours

Clustering

Clustering is an invaluable cheminformatics technique for subdividing a typically large compound collection into small groups of similar compounds. One of the advantages is that once clustered you can...

https://macinchem.org/2026/10/01/clustering/
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@macinchem.bsky.social 3 days

Google Chrome Extension

This a Google Chrome Extension, it allows you so select a drug name in a web page (for example), right-click and from the dropdown menu there is the option...
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@macinchem.bsky.social 3 days

This a Safari Extension, it allows you so select a drug name in a web page and view the structure macinchem.org/2026/09/29/s...
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@macinchem.bsky.social 1 week

AlvaSketcher has been updated to include R-group support macinchem.org/2026/09/12/a...
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@macinchem.bsky.social 1 week

mlxmolkit updated

mlxmolkit is a GPU-accelerated molecular toolkit using MLX on Apple Silicon, it is a port of nvMolKit that uses Cuda. It now includes AreaWhat it doesEntry pointConformersDrop-in for RDKit EmbedMolecules:...

https://macinchem.org/2026/09/23/mlxmolkit-updated-2/

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