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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · 1d

AIR Street Capital's "State of AI" 2025 Report references Nicholas Runcie, Charlotte Deane, and Fergus Imrie's work on Assessing the Chemical Intelligence of Large Language Models.

Read the whole report here: stateof.ai

And our preprint here: lnkd.in/gbuNXR93

State of AI Report 2025

The State of AI Report analyses the most interesting developments in AI. Read and download here.

stateof.ai

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · 23d

If this sounds interesting, we’d love to hear from you (email [email protected] or [email protected])!

Positions available to start immediately.

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · 23d

Postdocs will contribute to:

- Developing and applying AI/ML methods for small molecule design and selection
- Running blind community challenges
- Assessing the value of large-scale structural biology datasets

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · 23d

🚨 We’re hiring!

The OPIG group is looking for multiple postdocs to join OpenBind, an open science initiative generating foundational structural biology data to power the next era of AI/ML for drug discovery.

opig.stats.ox.ac.uk
openbind.uk

OpenBind

openbind.uk

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Reposted by Oxford Protein Informatics Group (OPIG)

Agents of Tech @agentsoftech.bsky.social · Sep 4

New episode of Agents of Tech!🚨“AI is going to completely change the way we ask questions" We were thrilled to be joined at ISMB/ECCB by Prof. Charlotte Deane to discuss the changing role of AI in science and why humans will always be essential #ai #podcast
@iscb.bsky.social

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Reposted by Oxford Protein Informatics Group (OPIG)

Agents of Tech @agentsoftech.bsky.social · Sep 8

AI can’t work without data. OpenBind could spark the next revolution in AI drug discovery, building the datasets we need to predict how small molecules bind to proteins.
Full episode out now! #AI #OpenBind #AlphaFold #Biotech #ArtificialIntelligence

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Reposted by Oxford Protein Informatics Group (OPIG)

Agents of Tech @agentsoftech.bsky.social · Sep 9

“We are the third best country in the world at AI… that’s incredible. Start there.”

Live from ISMB/ECCB, Professor Charlotte Deane reflects on the 'AI race' - is it really about competition? And does the UK have a true strategic advantage?
@iscb.bsky.social

#podcast #ai #academicsky #research

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Reposted by Oxford Protein Informatics Group (OPIG)

Nature Computational Science @natcomputsci.nature.com · Aug 25

🚨Our August issue is now live and includes research on antibody-antigen binding, molecular screening for zeolite synthesis, psychological experiments with LLMs, and much more!
www.nature.com/natcomputsci...

Yellow and orange antibody binding to purple and blue membrane proteins

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Reposted by Oxford Protein Informatics Group (OPIG)

Alissa Hummer @alissahummer.com · Aug 26

Our paper on generalizable antibody-antigen binding affinity prediction has been featured on the cover of the August Issue of @natcomputsci.nature.com! 📔🎉

Nature Computational Science @natcomputsci.nature.com · Aug 25

🚨Our August issue is now live and includes research on antibody-antigen binding, molecular screening for zeolite synthesis, psychological experiments with LLMs, and much more!
www.nature.com/natcomputsci...

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Aug 28

Our first pandemic preparedness database, Pox-AbDab, is now available!

We present sequence, structural & functional data on antibodies and nanobodies that bind/neutralise orthopoxviruses:

DB: opig.stats.ox.ac.uk/webapps/poxa...
Preprint: doi.org/10.1101/2025...

Work led by Henriette Capel

Pox-AbDab

opig.stats.ox.ac.uk

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Aug 15

Congratulations to the authors: Henriette Capel, Isaac Ellmen, Chris Murray, Giulia Mignone, Megan Black, Brendan Clarke, Conor Breen, Sean Tierney, Patrick Dougan, Richard Buick, Alex Greenshields-Watson, and Charlotte Deane, for their contributions and support on the project.

Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Aug 15

See more in the
Paper: www.biorxiv.org/content/10.1...
GitHub: github.com/oxpig/LICHEN
Web tool: opig.stats.ox.ac.uk/webapps/lich...

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Aug 15

LICHEN outputs are customisable and tuneable to experimental needs or desired content, enabling a collaborative light sequence design by leveraging computational capabilities alongside experimental expertise.

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Aug 15

Our preprint, LICHEN: Light-chain Immunoglobulin sequence generation Conditioned on the Heavy chain and Experimental Needs, is now on bioRxiv.

LICHEN is a machine learning tool to generate an appropriate light sequence for a given heavy sequence.

www.biorxiv.org/content/10.1...

LICHEN: Light-chain Immunoglobulin sequence generation Conditioned on the Heavy chain and Experimental Needs

In developing therapeutic antibodies, the heavy chain is often prioritised due to its higher variability and its central role in antigen binding. An appropriate pairing of the light sequence is howeve...

www.biorxiv.org

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Aug 11

🛠️ Web apps are back!

We completed our scheduled maintenance this morning. If you notice any issues, please let us know at opig<~at~>stats.ox.ac.uk!

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Aug 5

🛠️ Scheduled maintenance

Please be aware that OPIG's website, including our web apps, will be down for routine maintenance at 10:00 UTC on Monday 11th August 2025 for a period of approximately one hour. Apologies for any inconvenience.

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jul 28

Project led by Isaac Ellmen together with @cschneider.bsky.social‬, @mraybould.bsky.social‬, and Charlotte Deane

Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jul 28

Compared to structural tokenization, Transformers imbued with coordinates maintain a better understanding of global contacts but may struggle with fine-grained reasoning

We hope that this will help others in rationally designing Transformer-based protein structure models

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jul 28

We investigate how models like AlphaFold3 and ESM2 learn to reason about structural data using standard inner-product attention.

We show Transformers can learn a 3D analog of linear positional encoding to attend to nearby tokens in space.

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jul 28

Our paper "Transformers trained on proteins can learn to attend to Euclidean distance" is now published in @tmlrorg.bsky.social @tmlr-pub.bsky.social

openreview.net/forum?id=mU5...

Transformers trained on proteins can learn to attend to Euclidean...

While conventional Transformers generally operate on sequence data, they can be used in conjunction with structure models, typically SE(3)-invariant or equivariant graph neural networks (GNNs), for...

openreview.net

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jul 25

Earlier this week at ISMB, Prof. Charlotte Deane spoke to @websedgetv.bsky.social for @iscb.bsky.social Spotlight TV. Check out what she had to say about AI, biological datasets, drug discovery, and so much more

youtu.be/PyZbeoLsLuQ?...

www.instagram.com/p/DMaQVr8tEF...

Building Reliable AI Systems for Bioinformatics

YouTube video by WebsEdge Science

youtu.be

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jul 2

Professor Charlotte Deane is speaking this Thursday, 3rd July at her former college (Univ) as part of a session on Creativity and AI. Online and in-person tickets available (free for students)

Profile: www.univ.ox.ac.uk/news/profile...

More details here: www.univ.ox.ac.uk/event/univ-s...

Profile: Charlotte Deane - University College Oxford (Univ) Univ Oxford

Professor Charlotte Deane MBE (1993, Chemistry) is a Professor in the Department of Statistics at the University of Oxford and the...

www.univ.ox.ac.uk

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jun 16

Thank you to all our users for your patience. The advertised routine maintenance is now complete. Please report any ongoing issues to [email protected]

Reposted by Oxford Protein Informatics Group (OPIG)

haroldgrosjean.bsky.social @haroldgrosjean.bsky.social · May 28

🚨New preprint
We extract structure–activity relationships (xSAR) directly from HT crystallography of crude reaction mixtures
⚡No hit resynthesis = faster DMTA
📄 doi.org/10.26434/che...
@oxfordbiochemistry.bsky.social
@diamondlightsource.bsky.social
@opig.stats.ox.ac.uk
@philbiggin.bsky.social
#FBDD

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Oxford Protein Informatics Group (OPIG) @opig.stats.ox.ac.uk · Jun 13

🚨 Website maintenance

Please be aware that OPIG's website, including our web apps, will be down for routine maintenance at 08:30 UTC on Monday 16th June 2025 for a period of about two hours. We apologise for any inconvenience.

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