TabPFN-2.5 https://macinchem.org/2025/11/10/tabpfn-2-5/

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/

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: 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.

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...

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

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...

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

*** Cambridge Cheminformatics Meeting *** 3 Sep 2025, Hybrid Mode! Free/open to all - join us and circulate further! Registration via c-inf.net Generously hosted again by the @ccdc.cam.ac.uk and live on Zoom Please join, circulate & hope to see you there! Andreas @macinchem.bsky.social

Need access to 20,000 gpu machine? macinchem.org/2025/08/18/i...

A couple of free AI meetings in Cambridge UK next month macinchem.org/2025/08/18/a...

ORCA Python interface macinchem.org/2025/08/16/o... #compchem

#cheminformatics #chembl #surechembl #chemjobs #chempostdocs

🚨 Reminder: The Frontier Fund is open! We’ve got £2.5M available to support bold, high-impact ideas at the intersection of AI and Chemistry! 🗓️ Deadline: 12th September 💬 Drop-in sessions available - bring your questions and ideas 🔗 buff.ly/CK9fwP3

A Vortex script to select random clusters. macinchem.org/2025/07/18/s... #cheminformatics

An AppleScript to submit structures drawn in ChemDraw to Boltz for docking. A first draft. macinchem.org/2025/07/11/u...

🚨 Join our upcoming webinar - 23 July, 14:00 -15:00 Diving into automation + robotics in chemistry 🤖 Speakers: >_Prof. Jason Hein - Real-Time Data & Modular Robotics >_Sriram Vijayakrishnan - Autonomous Mobile Robots in Exploratory Synthetic Chemistry 🎙️Live Q&A. Register now➡️ : buff.ly/NPMQOtN

Last day for bursary applications for the 8th RSC CICAG/BMCS AI in Chemistry meeting. www.rscbmcs.org/events/aiche...

The CCL mailing list is closing down, Jan Labanowski ran this service for decades, thanks you Jan. macinchem.org/2025/07/10/c...

Still time to apply for bursaries for the 8th Artificial Intelligence in Chemistry Symposium. www.rscbmcs.org/events/aiche... (Closing date 11th July 2025) An absolutely fabulous meeting that is great for early career scientists.

🚀 Join us for the 8th AI in Chemistry event! 📅 22–24 Sept 2025 | Churchill College, Cambridge + virtual 🎤 15 speakers | 🧪 47 posters | 👥 100+ delegates ✨ Space still open for exhibitors & attendees! 💡 Pre-meeting workshop with Pat Walters & Andrea Volkamer! 👉 lnkd.in/d89JiRQt #AIChem25

After years of development and preparatory works which you might have seen on this profile, a major milestone is achieved: g-xTB marks not just an evolution, but a revolution in the capabilities of semiempirical quantum chemistry. Convince yourself! A thread. 🔗 chemrxiv.org/engage/chemr... #compchem

Royal Society of Chemistry grants macinchem.org/2025/06/24/r...

Boltz on Apple Silicon macinchem.org/2025/06/17/b...

🚀 Healx is launching a new blog series on practical, open-source workflows for drug discovery! First up: a KNIME + ChEMBL pipeline to explore compound-target interactions. Big thanks to #RDKit, ChEMBL, UniChem & KNIME! 🧪 Read more: medium.com/low-code-for...

Interesting news. www.linkedin.com/posts/lcc-te...

Digital Discovery is proud to sponsor a poster prize at the 8th Artificial Intelligence in Chemistry Symposium of @rsc-cicag.bsky.social and @rscbmcs.bsky.social. This year's meeting runs 22-24 September 2025 in Cambridge, UK. Find out more and register here: www.rscbmcs.org/even...

Q-Chem 6.3 released macinchem.org/2025/06/10/q...

Just wanted to highlight New approaches to the treatment of Parkinsons' conference. Awesome lineup of speakers. #BMCSPARKINSONS2025 www.cambridgemedchemconsulting.com/news/index_f...

WWDC25 is tomorrow macinchem.org/2025/06/08/a...

A reader asked how to remove the colouring from a column in Vortex, so I've updated the post. macinchem.org/2025/05/18/v...