Welcome!
Buenos Aires, 10-11th of November, 2025
This website contains all the necessary information related Ersilia's content for the 1st Latin American hands-on workshop on open-source AI/ML-guided drug discovery, delivered on November 10th to 13th, 2025, at the "Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina". The full programme for the workshop can be found here.
Jump right in
The basics of drug discovery and how AI can help with the Ersilia Model Hub
Using the Ersilia Model Hub for antibiotic bioactivity prediction Monday afternoon (demo)
Group exercise to prioritize antibiotic compounds with the Ersilia Model Hub Monday afternoon (breakout)
What is next in AI for drug discovery. Generative chemistry and beyond Tuesday morning (keynote)
Sampling the chemical space with similarity searches and generative tools Tuesday morning (demo)
Facilitators
This short course is facilitated by the Ersilia Open Source Initiative. Feel free to reach out to the facilitators if you have any questions or concerns!
Gemma Turon, PhD (gemma@ersilia.io). Co-Founder and Executive Director
Miquel Duran-Frigola, PhD (miquel@ersilia.io). Co-Founder and Science & Technology Director
Useful links
All course materials are open, including slide decks and datasets. All the necessary information is available in the following links:
Google Drive folder with all course materials
Ersilia Model Hub App to quickly run predictions online
Ersilia Model Hub Browser to discover models of interest
Ersilia is a non-profit organization aimed at fueling research for drug discovery with open-source AI/ML tools. To learn more about Ersilia, please visit:
The organization website for a quick overview of our projects and activities
The GitBook documentation for in-depth details, including code and how to collaborate with us
The Ersilia CLI tool codebase, which centralizes most of our open source activities
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