This page brings together key documents, resources, and tools related to the OpenBind initiative, including links to data platforms and supporting materials.
Platforms
Get the Data – Fragalysis
Fragalysis is a browser‑based platform for visualising, curating and downloading experimental and virtual fragment‑screening data. It hosts all data generated through OpenBind. Guidance on how to use the platform is available in the 'Documents' section of this page.
Click to explore FragalysisGet the data – Zenodo
This record contains the first public dataset released by the OpenBind consortium: a structure–affinity dataset for structure-based AI and computational drug discovery.
Click to explore ZenodoBenchmarks – GitHub
This record contains the first public dataset released by the OpenBind consortium: a structure–affinity dataset for structure-based AI and computational drug discovery.
Click to explore GithubExperimental protocols
OpenBind workspace to capture the protocols.io produced as a result of the consortium efforts.
Click to explore OpenBind protocolsOpenBind Data Hub
OpenBind Data Hub is a collaborative space for discussing coupled structural and assay datasets released by OpenBind. Here you can chat to the OpenBind team, troubleshoot queries, and stay updated with what's happening at OpenBind.
Click to join the OpenBind communityBlogs
OpenBind’s first release: A structure–affinity dataset for structure-based AI
Presenting OpenBind’s first structure-affinity data release for the EV A71 2A protease, alongside reference benchmarks and how the community can use and evaluate them.
Click to read the blogBlog: Inside OpenBind’s First Public Data Release: The Real Process Behind the Data Generation
Outlining the experimental and structural biology work underpinning OpenBind’s first data release, from protein production and crystallography through to model building and refinement.
Click to read the blogBlog: Affinity and Kinetics Data in the EV‑A71 2A OpenBind Release
This post documents how the first OpenBind data package was generated – from target selection and experimental design through large‑scale structure and affinity data production – highlighting the scale, complexity, and rigour behind the final dataset.
Click to read the blogDocuments
Fragalysis Guide
The Fragalysis app is supported by comprehensive documentation on Read the Docs, which explains how to use the platform.
Click to read the Fragalysis Guide
