TabPFN-2.5

https://macinchem.org/2025/11/10/tabpfn-2-5/

Awesome, and very well deserved.

Isambard-AI and Dawn AIRR supercomputers: Innovator route

https://macinchem.org/2025/11/06/isambard-ai-and-dawn-airr-supercomputers-innovator-route/

Another update

https://macinchem.org/2025/11/05/another-update/

A few updates

https://macinchem.org/2025/11/05/a-few-updates/

Economics Nobel prize won by researchers who showed how science boosts growth Joel Mokyr, Philippe Aghion and Peter Howitt share economics prize for work that underlines the importance of investing in research and development.

The latest Nobel prizes for economics highlight how innovation and support for science drives growth. A timely reminder to invest in research. www.nature.com/articles/d41...

Use the Foundation Models framework to access the on-device LLM that powers Apple Intelligence.

https://macinchem.org/2025/10/08/use-the-foundation-models-framework-to-access-the-on-device-llm-that-powers-apple-intelligence/

OpenADMET Challenge

https://macinchem.org/2025/10/05/openadmet-challenge/

MayaChemTools updated

https://macinchem.org/2025/10/02/mayachemtools-updated-3/

This looks interesting, binding free energy calculations macinchem.org/2025/09/29/b...

BindFlow

https://macinchem.org/2025/09/29/bindflow/

And the winners are: 🥁

Peoples Prize: Sara Tanovic
Industry: Narek Petrosyan
Academia: Sam Money-Kyrle

Congratulations to all the winners! 🏆

I've now included a Bluesky feed onto the website. macinchem.org

The Shape of Chemical Space The concept of chemical space is critical in cheminformatics, medicinal chemistry, and machine learning applications. Despite this, the high dimensionality of molecular representations greatly complic...

The shape of chemical space: www.biorxiv.org/content/10.1...
github.com/mqcomplab/NAMI

ChEMBL 36 is out macinchem.org/2025/09/26/c...

Chemfp 5.0 released macinchem.org/2025/09/25/c...

Now this is interesting! Apple does protein structure prediction. macinchem.org/2025/09/24/s...

Often quoted but worth repeating. What is AI? If it is written in python it is machine learning. If it is written PowerPoint it is AI.

At the AI in chemistry conference in Cambridge. #AIChem25. Workshop to start the conference.

Make the most of the ChEMBL interface with our newest webinar! Before starting a new drug discovery project, it’s useful to compile existing data on compounds and targets of interest. Open access bioacti...

The ChEMBL team is providing a free “Drug Design” webinar chembl.blogspot.com/2025/09/make...

MOE from Chemical Computing Group does not run under Tahoe macinchem.org/2025/09/19/m...

Issues with XQuartz under macOS Tahoe. macinchem.org/2025/09/18/x...

jonswain.github.io/ai/cheminfor...

nvMolKit: a core set of GPU-accelerated RDKit functions – Macs in Chemistry macinchem.org/2025/09/11/n...

Very well deserved

KNIME in cheminformatics macinchem.org/2025/08/25/k...

Our Gem in Widnes: The Catalyst Science Discovery Centre & Museum Contribution from Dr. David Nellist, Trustee at Middlewich Heritage Trust and Chair of Winsford History Society.

Read the full piece in the Distillate: www.rsccicag.org/index_htm_fi...

Cryo-Em structure of the SLC45A4 polyamine transporter depicted by a substantial yellow and green area, a purple mid-section, punctuated with turquoise and with the top third of the whole surrounded by a transparent 'membrane'-like structure

Read the full story here: 📣Breakthrough discovery reveals new gene linked to chronic pain ➡️ bit.ly/202508_newst...

⏳ There is still time to register for the 8th Artificial Intelligence in Chemistry Symposium: www.eventsforce.net/hg3/frontend...

📅 22nd – 24th September 2025
🕛 12:00 PM - 06:00 PM, BST
🏙️ Churchill College, Cambridge

Very nice!