Thursday 22 September 2022 – Thursday 22 September 2022


Scientists want quick, precise, reproducible results, which can be achieved only with the best tools — and full flexibility.

With the CSD Python API, you can construct custom, tailored scripts to perform advanced searches and analyses on the world’s structural chemistry data.

By using the CSD analyses through the CSD Python API you can fully customize and automate analyses in a reproducible way, even integrating them with other tools.

Across the literature, researchers have used the CSD Python API to:

  • Search and prepare molecules of interest for their study

  • Design custom advanced workflows

  • Visualize and analyse the binding site interactions of proteins

  • Construct a network and cluster related data to examine co-crystal formation

  • Perform virtual screening of materials

  • Automate analyses


Join us on the 22nd of September to learn top tips to get started using the CSD Python API, with live demonstrations delivered by our team of scientists.


Who should attend:

  • Computational chemists

  • Data scientists

  • Cheminformatics scientists

  • Scientists who want to automate reproducible in silico analyses

  • Researchers who need to search, filter, and prepare structural chemistry data in bulk ahead of ML or AI applications


Time: 16:00 pm (BST) / 17:00 pm (CEST)/ 11:00 am (ET)/ 8:00am (PT) 


Register here