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@macinchem.bsky.social

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macinchem.bsky.social @macinchem.bsky.social · 16h

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/

macinchem.bsky.social @macinchem.bsky.social · 3d

OpenADMET Challenge

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

macinchem.bsky.social @macinchem.bsky.social · 7d

MayaChemTools updated

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

macinchem.bsky.social @macinchem.bsky.social · 9d

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

BindFlow – Macs in Chemistry

macinchem.bsky.social @macinchem.bsky.social · 9d

BindFlow

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

Reposted

RSC-CICAG @rsc-cicag.bsky.social · 12d

And the winners are: 🥁

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

Congratulations to all the winners! 🏆

macinchem.bsky.social @macinchem.bsky.social · 12d

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

Macs in Chemistry – A site for chemists using Macs in Chemistry

Reposted

Miranda-Quintana group @groupquintana.bsky.social · 12d

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

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...

www.biorxiv.org

macinchem.bsky.social @macinchem.bsky.social · 13d

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

ChEMBL 36 is out – Macs in Chemistry

macinchem.bsky.social @macinchem.bsky.social · 13d

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

chemfp 5.0 released – Macs in Chemistry

macinchem.bsky.social @macinchem.bsky.social · 14d

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

SimpleFold: Folding Proteins is Simpler than You Think – Macs in Chemistry

macinchem.bsky.social @macinchem.bsky.social · 16d

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.

macinchem.bsky.social @macinchem.bsky.social · 16d

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

macinchem.bsky.social @macinchem.bsky.social · 19d

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

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...

chembl.blogspot.com

macinchem.bsky.social @macinchem.bsky.social · 20d

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

MOE does not launch under MacOS 26 Tahoe – Macs in Chemistry

macinchem.bsky.social @macinchem.bsky.social · 21d

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

XQuartz and macOS Tahoe – Macs in Chemistry

macinchem.bsky.social @macinchem.bsky.social · 25d

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

Chemprop-RF: A Hybrid Approach to Chemical Property Prediction

Can we combine d-MPNNs and Random Forests to outperform each of them individually?

jonswain.github.io

macinchem.bsky.social @macinchem.bsky.social · 27d

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

nvMolKit: a core set of GPU-accelerated RDKit functions – Macs in Chemistry

macinchem.bsky.social @macinchem.bsky.social · Aug 28

Very well deserved

macinchem.bsky.social @macinchem.bsky.social · Aug 25

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

KNIME in cheminformatics – Macs in Chemistry

Reposted

RSC-CICAG @rsc-cicag.bsky.social · Aug 23

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...

Reposted

Oxford Biochemistry @oxfordbiochemistry.bsky.social · Aug 22

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

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

Reposted

RSC-CICAG @rsc-cicag.bsky.social · Aug 20

⏳ 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

macinchem.bsky.social @macinchem.bsky.social · Aug 20

Very nice!

Reposted

Andreas Bender @andreasbender.bsky.social · Aug 19

*** 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