View on GitHub

CCP CompMedChem

Community for in-silico small molecule compound design

Welcome to CCP CompMedChem

CCP CMC

CCP CompMedChem - a CCP for in silico small molecule compound design. Built up of academic method developers, industrial CADD groups and software providers. Aimed at providing a route-to-use for computational methods, a portal for naive users to find best practice and ensuring novel methods are focussed on industrially relevant problems.

Purpose:

  1. Naive user access to comp-chem best-practice and tools
  2. Academic route-to-market for tools and technologies
  3. Novel method development that speaks to the needs of pharma

Headline Outcomes:

  1. Three workshops held at Diamond, EBI and Cambridge and attended by over 30 people (details below)
  2. Contributor to open-source community surrounding SQUONK platform. Including introduction of third party tools and commitment to continue to do so
  3. Core team (2 FTEs) working on CCP CMC infrastructure at Diamond
  4. Third meeting scheduled for end of September (location TBC)

Workshops

Meeting January 11th - EBI

21 Attendees from pharmaceutical industry, software providers, academia at the EBI in Hinxton

Workshop three details

Meeting June 21st - Cambridge

21 Attendees from pharmaceutical industry, software providers, academia at the University of Cambridge

Workshop two details

Meeting March 10th - Diamond

18 Attendees from pharmaceutical industry, software providers, academia at Diamond Light Source

Workshop one details