Workshop on Open-Source Tools for Chemistry

13 November 2020 10:00-16:30, London, United Kingdom

All scientists working in chemistry need software tools for accessing, handling and storing chemical information, or performing molecular modelling and computational chemistry. There is now a wealth of open-source tools to help in these activities; however, many are not as well-known as commercial offerings. This workshop offers a unique opportunity for attendees to try out a range of open-source software packages for themselves with expert tuition in different aspects of chemistry. Attendees will be able to choose from sessions covering accessing online resources; data processing and visualisation; ligand and structure-based design, or computational chemistry. All software and training materials required for the workshop will be provided for attendees to install and run on their own laptops.

The following six sessions will be available:
  • Accessing Data: ChEMBL
  • Data Analysis: DataWarrior
  • Viewing Molecules: PyMOL
  • Fragment-based Screening: XChem
  • Workflows: KNIME
  • Chemistry in the Cloud: Leveraging Google Colabs for Computational Chemistry
Three parallel sessions will be running through the day and participants will be able to choose four to attend. Further details of the sessions will be available shortly.

A number of bursaries are available to support registration and travel costs for postgraduate students, the retired and those on career breaks. An application form is available on this page and further information regarding travel grants available for RSC members can be found at:

Registration Fee - £45

This workshop is part of a three-day series exploring the theme of open chemical science. Further information can be found at the link on this page.
Sponsorship & supporting organisations
The Royal Society of Chemistry

The Royal Society of Chemistry, Burlington House, Piccadilly, London, W1J 0BA, United Kingdom

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