OpenBind is a pioneering initiative creating the world’s largest open-access dataset of drug–protein interactions – to accelerate the development of new treatments.
By combining cutting-edge science with open collaboration, OpenBind powers the next generation of machine learning tools for structure-based drug design, freely available to all.
Why it matters
Significantly increasing the number of public protein-ligand structures
Using automated chemistry and high throughput X-ray crystallography to significantly increase the number of publicly available protein-ligand structures over a period of 5 years.
Led by Global Experts
Bringing together a collaboration of pioneers in structural biology and AI including Diamond Light Source, the Universities of Oxford, Washington and Columbia plus the EBI and OMSF.
Meet the teamBreakthroughs in disease treatment
Delivering a core dataset, including predicting molecular structures, designing new molecules and improving research workflows.
AI-ready data to reduce drug development time and cost
Combined with other new methods to reduce trial-and-error experimentation, guide better decision-making, and support more efficient exploration of chemical possibilities.
Announcements
July 18, 2025
UK and France ministers back AI drug discovery at Diamond
The UK’s Parliamentary Under-Secretary of State at the Department of Science, Innovation and Technology, Feryal Clark, visited Diamond to gain insights into the groundbreaking work planned by the OpenBind consortium. An ambitious initiative that aims to revolutionise drug discovery through artificial intelligence. Feryal Clark, Parliamentary Under-Secretary of State for Science, Innovation and Technology, visited Diamond Light Source to learn about OpenBind – an AI-driven initiative set to transform drug discovery.
June 10, 2025
Diamond will host a pioneering AI-driven drug discovery consortium
Diamond will be the base for OpenBind, an AI-driven drug discovery centre which will make the UK a world-leader in drug innovation and advancement.
