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Cheminformatics Data Scientist

The Cambridge Crystallographic Data Centre (CCDC)
Negotiable depending on experience
Closing date
12 Aug 2021
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Job Details

We are seeking a creative and highly-motivated Data Scientist with a background in Chemistry to join the Cambridge Crystallographic Data Centre (CCDC) to help generate novel insights from the world’s most comprehensive collection of experimental structural chemistry data. The successful candidate will design and develop workflows and scripts that combine data from the Cambridge Structural Database (CSD) and other chemistry resources with established and emerging data science platforms and methodologies.

The ideal candidate will have:

  • A chemistry background (good undergraduate degree or PhD) with a passion for structural chemistry;
  • Ability to derive novel insights from large chemical data resources;
  • Familiarity with systems and tools used to represent, manipulate and link chemistry data;
  • Experience with scripting languages (e.g. Python) and workflow technologies (e.g. KNIME);
  • Interest in applying machine learning methods to generate novel insights from scientific data;
  • Ability to use initiative to develop new ideas and promote these to diverse audiences;
  • Interest in the application of semantic ontologies to improve interoperability across scientific resources.

This position will be based at the CCDC’s offices in Cambridge UK, although flexible working arrangements will be considered. You will join a diverse organisation where you will work closely with data curators, scientists and software developers, ensuring that you have the wider support network available to achieve your goals.


The scientists and software developers at the CCDC create and supply the database system storing all the world's published 3D structures of small-molecule chemicals. This system is used by thousands of organisations in over 70 countries. We’re a professional organisation, established as a not-for-profit company and registered charity. Although independent, we are a University of Cambridge Partner Institute. We offer an excellent benefits package and a competitive salary in a lively and friendly organisation of around 70 staff worldwide.

Our activities span scientific research, software development, finance, IT systems, commercial, and support - and we need great people in every team to continue our mission to advance structural science!

Find Us
01223 336408
12 Union Road
United Kingdom
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