As crystal structure prediction (CSP) techniques advance, this consortium are steering the development of data standards and novel software tools to allow the potential of CSP to truly shine.

Crystal structure prediction holds the key to future drug development - reducing risks, and bringing drugs to market faster.

The CSP consortium contributed to the development and launch of CSD-Theory - and their work continues to push for better CSP data standards and software.

About the CSP consortium

  • Formed in 2019
  • Overall objective: to develop solutions for the storage, visualisation and management of CSP knowledge, underpinned by community standards and driven by industry needs.
  • Includes 8 member companies from industry, plus expert academic collaborators.
  • Work with the CCDC to develop data standards for crystal structure prediction - in line with FAIR data principles
  • Meet regularly to:
    • Review and discuss progress
    • Preview new CSP software functionality and provide feedback to the developers
    • Set priorities and goals for CSP data standards
  • Key outputs to date:


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