Workshop on Open-Source Tools for Chemistry
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.
The software packages will be presented over six two-hour sessions as follows:
09 November: 13.30 - 15.30 Cheminformatics and data analysis using Data Warrior (Isabelle Giraud) 09 November: 16.00 - 18.00 Molecular visualization using PyMOL (Garrett M Morris)
10 November: 11.00 - 13.00 Chemistry in the cloud: leveraging Google Colab for quantum chemistry (Jan Jensen)
11 November: 13.30 - 15.30 Accessing biological and chemical data in ChEMBL (Anna Gaulton)
12 November: 16.00 - 18.00 Fragment-based screening, XChem at Diamond (Rachael Skyner)
13 November: 11.00 - 13.00 Interactive and automated chemical data analysis with KNIME (Greg Landrum)
Registration This event will be free to attend but registration is required.
More details and registration can be found here https://www.rsc.org/events/detail/43180/workshop-on-open-source-tools-for-chemistry.