The latest update of the popular Biomolecular visualisation tool ChimeraX has been released, including some exciting new features, https://www.rbvi.ucsf.edu/chimerax/download.html This update includes – OpenFold3 structure
Author: chris
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 —
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
This opportunity is open to UK-based researchers and artificial intelligence (AI) developers from academia, industry, public sector or other organisations. This funding opportunity offers compute
The latest update of the ChEMBL database is out. There are now nearly 3 million structures, 2 million assays covering over 18,000 targets. One of
When Nathan Brown and I first discussed a proposed Artificial Intelligence in Chemistry meeting a decade ago we were concerned that the event might not
I’ve written about TabPFN previously https://macinchem.org/2025/02/06/looking-at-tabpfn/ and I see a technical report has just been published. https://priorlabs.ai/technical-reports/tabpfn-3 TabPFN is a foundation model trained on around 130,000,000
https://www.linkedin.com/feed/update/urn:li:activity:7461059877155631105 A fantastic step-by-step breakdown of an example Python pipeline used to build a ligand-based 3D pharmacophore model using free, open-source tools.
If you are coming to the 9th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry meeting in Cambridge 2-4 September 2026. You might also be interested
Lack of data has hampered the building of models to accurately predict binding affinity so I’m sure everyone is super excited to see the first