# Ersilia Workshops ## Ersilia Workshops - [Welcome](https://ersilia.gitbook.io/ersilia-workshops/welcome.md) - [Additional resources](https://ersilia.gitbook.io/ersilia-workshops/additional-resources.md): A few interesting learning resources related to drug discovery, machine learning, and global health ## RAFIKI - [RAFIKI workshop](https://ersilia.gitbook.io/ersilia-workshops/rafiki/rafiki-workshop.md): 8-11 September 2026, Nairobi, Kenya - [Ersilia Models](https://ersilia.gitbook.io/ersilia-workshops/rafiki/ersilia-models.md) - [Glossary](https://ersilia.gitbook.io/ersilia-workshops/rafiki/glossary.md) ## AI2050 Program - [Welcome to the AI2050 Program](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/welcome-to-the-ai2050-program.md) - [Introductory workshop](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/introductory-workshop.md): 2h introduction to AI/ML for Drug Discovery delivered by Ersilia and the H3D Foundation at the H3D Symposium, May 2024. - [West Africa Workshop](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/west-africa-workshop.md): 4-day workshop on the use of AI for Drug Discovery delivered by the H3D Foundation and Ersilia in Accra, Ghana, September 2024. - [Day 1 Breakout](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/west-africa-workshop/day-1-breakout.md): Activities for the Day 1 Breakout Session - [Day 2 Breakout](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/west-africa-workshop/day-2-breakout.md): Activities for the Day 2 Breakout Session - [Day 3 Breakout](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/west-africa-workshop/day-3-breakout.md): Activities for the Day 3 Breakout Session - [East Africa Workshop](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/east-africa-workshop.md): 4-day workshop on the use of AI for Drug Discovery delivered by the H3D Foundation and Ersilia in Nairobi, Kenya, on July 2025 - [Day 1 Breakout](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/east-africa-workshop/day-1-breakout.md): Activities for the Day 1 Breakout Session - [Day 2 Breakout](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/east-africa-workshop/day-2-breakout.md): Activities for the Day 2 Breakout Session - [Day 3 Breakout](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/east-africa-workshop/day-3-breakout.md): Activities for the Day 3 Breakout Session - [Online Workshop](https://ersilia.gitbook.io/ersilia-workshops/ai2050-program/online-workshop.md): In this page you will find all the information related to the online AI2050 AI for Drug Discovery Workshop co-hosted by H3D Foundation and Ersilia in September 2025 ## AI2050 Collaboration Fund - [Welcome](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/readme.md) - [Day 1](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-1.md) - [Session 1.1](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-1/session-1.1.md): An introduction to StarDrop at H3D - [Session 1.2](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-1/session-1.2.md): An introduction to StarDrop at H3D (continued) - [Day 2](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-2.md) - [Session 2.1](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-2/session-2.1.md): Introduction to AI models in StarDrop - [Session 2.2](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-2/session-2.2.md): Ready-to-use AI/ML models for drug discovery with the Ersilia Model Hub - [Session 2.3](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-2/session-2.3.md): Third-party models. Predicting ADMET properties (and more) for your compounds of interest - [Session 2.4](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-2/session-2.4.md): In-house models. AI tools for H3D. How to use them and how to contribute - [Day 3](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-3.md): Focused on synthesis planning with ASKCOS and generative models. Workshop run by the Coley Research Group. - [Session 3.1](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-3/session-3.1.md): Interactive synthesis planning with ASKCOS - [ASKCOS quick guide - models and datasets](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-3/session-3.1/askcos-quick-guide-models-and-datasets.md) - [Session 3.2](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-3/session-3.2.md): Automatic synthesis planning and pathway ranking with ASKCOS - [Session 3.3](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-3/session-3.3.md): Synthesis-constrained generative modeling - [Session 3.4](https://ersilia.gitbook.io/ersilia-workshops/ai2050-h3d-in-house-workshop/schedule/day-3/session-3.4.md): Ligand hopping with 3D generative models ## Merck Schistosoma Grant (IMPM) - [AI for Drug Discovery](https://ersilia.gitbook.io/ersilia-workshops/merck-schistosoma-grant-impm/ai-for-drug-discovery.md): Course delivered by Ersilia at the IMPM, Cameroon, in October 2025, through the Merck Schistosomiasis Research Grant - [Day 1 Breakout](https://ersilia.gitbook.io/ersilia-workshops/merck-schistosoma-grant-impm/ai-for-drug-discovery/day-1-breakout.md) - [Day 2 Breakout](https://ersilia.gitbook.io/ersilia-workshops/merck-schistosoma-grant-impm/ai-for-drug-discovery/day-2-breakout.md) - [Day 3 Breakout](https://ersilia.gitbook.io/ersilia-workshops/merck-schistosoma-grant-impm/ai-for-drug-discovery/day-3-breakout.md) ## AI4DD LATAM - [Welcome!](https://ersilia.gitbook.io/ersilia-workshops/ai4dd-latam/welcome.md): Buenos Aires, 10-11th of November, 2025 - [Monday morning (keynote)](https://ersilia.gitbook.io/ersilia-workshops/ai4dd-latam/sessions/monday-morning-keynote.md): Introduction to AI for drug discovery with examples from the Ersilia Model Hub - [Monday afternoon (demo)](https://ersilia.gitbook.io/ersilia-workshops/ai4dd-latam/sessions/monday-afternoon-demo.md): Online demo on how to use the Ersilia Model Hub for compound prioritization - [Monday afternoon (breakout)](https://ersilia.gitbook.io/ersilia-workshops/ai4dd-latam/sessions/monday-afternoon-breakout.md): Hands-on exercise using AI/ML models from the Ersilia Model Hub - [Tuesday morning (keynote)](https://ersilia.gitbook.io/ersilia-workshops/ai4dd-latam/sessions/tuesday-morning-keynote.md): Generative AI models for chemistry, and what's next in AI for drug discovery - [Tuesday morning (demo)](https://ersilia.gitbook.io/ersilia-workshops/ai4dd-latam/sessions/tuesday-morning-demo.md): A blueprint for how to use sampling methods to discovery new candidates in hit-to-lead optimization stages ## UB-CeDD ML for Drug Discovery - [Introduction](https://ersilia.gitbook.io/ersilia-workshops/ub-cedd-ml-for-drug-discovery/introduction.md): This page describes the training materials developed by Ersilia for a ten-day course at the University of Buea Centre for Drug Discovery. - [Course Modules](https://ersilia.gitbook.io/ersilia-workshops/ub-cedd-ml-for-drug-discovery/course-modules.md): Short description of the modules and the time used for each one - [Research implementation](https://ersilia.gitbook.io/ersilia-workshops/ub-cedd-ml-for-drug-discovery/research-implementation.md) ## Event Fund - [Bringing data science and AI/ML tools to infectious disease research](https://ersilia.gitbook.io/ersilia-workshops/event-fund/bringing-data-science-and-ai-ml-tools-to-infectious-disease-research.md): Event Fund workshop organised by the H3D Foundation and Ersilia Open Source Initiative - [Skills: open chemistry datasets](https://ersilia.gitbook.io/ersilia-workshops/event-fund/session-1/skills-open-chemistry-datasets.md) - [Breakout: working with chemistry data](https://ersilia.gitbook.io/ersilia-workshops/event-fund/session-1/breakout-working-with-chemistry-data.md) - [Skills: building an ML model for chemistry](https://ersilia.gitbook.io/ersilia-workshops/event-fund/session-2/skills-building-an-ml-model-for-chemistry.md) - [Breakout: the Ersilia Model Hub](https://ersilia.gitbook.io/ersilia-workshops/event-fund/session-2/breakout-the-ersilia-model-hub.md) - [Skills: using OS models](https://ersilia.gitbook.io/ersilia-workshops/event-fund/session-4/skills-using-os-models.md): This section serves as a guideline for the Skills Development Session 4 - [Breakout: generative models](https://ersilia.gitbook.io/ersilia-workshops/event-fund/session-4/breakout-generative-models.md) - [Git and Github](https://ersilia.gitbook.io/ersilia-workshops/event-fund/extra-content/git-and-github.md): Extension on the Skills Development hands-on session 4 - [Tools](https://ersilia.gitbook.io/ersilia-workshops/event-fund/documents/tools.md) - [Glossary](https://ersilia.gitbook.io/ersilia-workshops/event-fund/documents/glossary.md): Dynamic glossary of terms introduced during the workshop - [Code of Conduct](https://ersilia.gitbook.io/ersilia-workshops/event-fund/documents/code-of-conduct.md) - [Image and media policy](https://ersilia.gitbook.io/ersilia-workshops/event-fund/documents/image-and-media-policy.md) --- # Agent Instructions This documentation is published with GitBook. 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