OpenBind

Can computational methods predict unknown binding free energies? OpenBind, the Alchemistry 2027 committee & @openadmet.bsky.social are launching a new blind challenge using compounds from a real-world #DrugDiscovery programme: https://loom.ly/ZxGvBJY

OpenBind is tackling one of the biggest bottlenecks in AI drug discovery: data. Charlotte Deane talks to 'Nature Reviews Drug Discovery' about the protein–small molecule data gap holding back #AI in drug discovery, and how #OpenBind is working to address it: https://loom.ly/pu0u6LE

The #OpenBind Blind Challenge is now LIVE! Can your model predict ligand binding poses for 400 compounds against the Zika virus NS2B-NS3 protease? Join the challenge, submit predictions and see how your method performs. https://loom.ly/1aQdU3U #AIforScience #DrugDiscovery #OpenBind

The #OpenBind Blind Challenge is now LIVE! Can your model predict ligand binding poses for 414 compounds against the Zika virus NS2B-NS3 protease? Join the challenge, submit predictions and see how your method performs. https://loom.ly/1aQdU3U #AIforScience #DrugDiscovery #OpenBind

Attending the Harwell Science and Innovation Campus ENGINE Summit on Thursday? Don't miss the #OpenBind showcase at 14:10 on the FORA Stage - featuring, Elizabeth Shotton (Diamond), Frank von Delft (Diamond) and Fergus Imrie (University of Oxford) discussing AI for Life Sciences.

A new blind challenge is coming! In two weeks #OpenBind, @openadmet.bsky.social & #ASAP Consortium are challenging the community to predict protein-ligand binding for the Zika virus NS2B-NS3 protease. Get the details and start preparing: https://loom.ly/Q76qOI0

Following the release of #Openbind's first #AI model, our latest blog takes a deeper dive into the science behind it, including benchmarking, training data, model updates, and access to code and datasets for reproducible research. https://loom.ly/sRph01k

OpenBind's first AI model is now live! Built on #OpenBind's open protein-ligand binding datasets, and machine learning, the model helps researchers identify promising drug candidates faster and supports more data-driven drug discovery. https://loom.ly/X97SzJc #OpenScience #AI #DrugDiscovery

#OpenBind has successfully secured funding, marking a significant milestone in the initiative’s mission to transform #DrugDiscovery through #ArtificialIntelligence. https://loom.ly/Fm1cIIk

How can AI help us design new drugs? This Oxford Sparks podcast features Prof Fergus Imrie on data + machine learning to predict how molecules bind to proteins - a key step in #DrugDiscovery & central to #OpenBind's aim to build a huge open dataset to power #AI in this space https://loom.ly/PViDwoU

OpenBind is generating high-quality protein-ligand datasets that link structural data with binding measurements. This first release provides a realistic, structurally novel testbed linking high-resolution crystallographic data directly with biophysical binding affinity. zurl.co/PVCnJ

New results from Genesis Molecular AI exploring Pearl on the #OpenBind benchmark. Encouraging to see engagement on such a challenging system. Read the blog: www.genesis.ml/news/zero-sh...

📢 A milestone for AI-driven drug discovery Researchers from the department, as part of the @openbind.bsky.social consortium, have helped release a major new open dataset and predictive AI model to strengthen the data foundations for AI in drug discovery. Read more: https://tinyurl.com/2j9u44mw

The OpenBind consortium’s first release of experimental data marks a milestone in efforts to improve how artificial intelligence (AI) is used in drug discovery. Find out more ⬇️ https://www.ox.ac.uk/news/2026-05-12-openbind-releases-first-open-dataset-and-ai-model-for-drug-discovery

Our latest blog walks through how the affinity and kinetics data in the EV‑A71 2A OpenBind release were produced - from target selection to large‑scale structure and binding measurements. https://loom.ly/gZY5ylY #StructuralBiology #Biophysics #OpenScience #AI

Our latest blog takes a behind‑the‑scenes look at the experimental and structural biology work behind #OpenBind’s first data release - from protein production to crystallographic model building and refinement. https://loom.ly/Ydcti7A #StructuralBiology #Crystallography #OpenScience

The latest blog from #OpenBind introduces a new structure–affinity dataset for the EV‑A71 2A protease, alongside reference benchmarks and guidance on how the community can use and evaluate it across docking, co‑folding, and affinity prediction. https://loom.ly/6xPIRUc #OpenScience #DrugDiscovery #AI

#OpenBind announces its first data drop marking a major milestone for AI‑Enabled #DrugDiscovery! It’s the first initiative to generate open, AI‑ready datasets for protein–drug complexes, produced continuously & at industrial scale to enable the next generation of #AI models. https://loom.ly/eIrsqqg

Heading to the OpenFold Summit in Barcelona? Come and meet the OpenBind team and learn more about our first data release.

Sovereign AI officially launched yesterday to put Britain at the forefront of #AI. Supporting #OpenBind in its foundation phase, the £8 million seed fund will enable datasets for protein-drug complexes at an industrial scale, specifically for #AI to speed up #DrugDiscovery. https://loom.ly/eHc59cA

Curious about #AI driven protein-ligand modelling and the role of #OpenBind? If you’re at #DrugDiscoveryChemistry next week, come along to this session in the Generative AI & Predictive Modelling track to find out more. https://loom.ly/6kqUfSE

Good to see #OpenBind referenced in the UK’s AI for Science Strategy, highlighting the importance of open, #AI‑ready data in accelerating drug discovery. https://loom.ly/Rxt5JL8

AI is only as powerful as the data behind it! Listen to Charlotte Deane at @oxfordstatistics.bsky.social explain how #OpenBind has the power to unlock a large number of reliable datasets to drive the next wave of #AI-enabled #DrugDiscovery.

Exciting news for #OpenBind! Ali Ebrahim will be working with the #XChem team at Diamond to help analyse and curate structural data for our data‑release packages and software, boosting the quality and utility of ML training sets. Welcome aboard, Ali! https://loom.ly/Vro7Lo8

#OpenBind has installed three new Crystal Shifter instruments to support Diamond Light Source’s #XChem #FragmentScreening and help drive the next generation of ML‑powered structure‑based #drug design. https://loom.ly/RRLB3V0),

At #CCP4 Study Weekend, Jasmin Aschenbrenner showcased #OpenBind - an initiative creating high-quality #FragmentScreening data at Diamond to power next-gen machine learning for #DrugDiscovery. Learn more about this initiative: Website: http://www.openbind.org Bluesky: @openbind.bsky.social

A big welcome to Jochem Nelen, who will be joining the #OpenBind initiative. Working with Fergus Imrie and Charlotte Deane at the University of Oxford to apply computational methods for better hit discovery and screening. https://loom.ly/Vro7Lo8 #OpenBind #DrugDiscovery #AI

Excited to welcome Ben Sattelle to the OpenBind team! Ben will be working at MedChemica to link MCPairs with SCARAB, driving AI-powered drug discovery and smarter molecular design. Find out more: https://loom.ly/Vro7Lo8 #OpenBind #DrugDiscovery #AI

We've completed the first experimental phasing cycle!

Heading to #CCP4 this week? Discover #OpenBind, an open science initiative transforming structure-based drug design. Join Fergus Imrie (University of Oxford) on Friday, 11:00–11:30, to learn how OpenBind powers next-generation machine learning for #DrugDiscovery: https://loom.ly/KxbknFk

Join our mailing list for early access to AI-driven drug discovery insights & breakthroughs through the #OpenBind initiative. https://loom.ly/Vro7Lo8