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Analysing the world's structural chemistry data with the CSD Python API – programmatic, rapid, repeatable, automatable.
22 September 2022 16:00-17:00, United Kingdom
Introduction
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
