Welcome to the AI2050 AI for Drug Discovery Workshop

In this page you will find all the information related to the AI2050 AI for Drug Discovery Workshop co-hosted by H3D Foundation and Ersilia

Course schedule

The course is divided in 4 sessions of 1:30h each. Links to join each session will be provided to registered participants. All times below are in SAST/CEST:

• 12:00-12:50: Keynote lecture

• 12:50-13:10: Hands-on exercise (individual)

• 13:10-13:20: Discussion of the exercise

• 13:20-13:30: Q&A

Please, course participants, block 15 minutes at the end of each session to complete the questionnaire. This is required to obtain a course certificate.

Course contents

All course contents are released under a CC-BY-SA license. Please use the appropriate attribution if you reuse them.

• Day 1: Data Cleaning and chemical space visualisation

  • Slides and Recorded session

  • Dataset for activity

  • Activity submission form

  • Evaluation form

• Day 2: Predicting antimicrobial activity

  • Slides and Recorded session

  • Dataset for activity & results

  • Activity submission form

  • Evaluation form

• Day 3: Virtual screening cascades

  • Slides and Recorded session

  • Activity submission form

  • Evaluation form

• Day 4: Beyond the course: What’s next in AI for drug discovery?

  • Slides

  • Activity submission form

  • Evaluation form

Links will be updated one hour before the session.

Resources

Additional resources you can use during and after the course:

• Ersilia Model Hub Interface: https://hub.ersilia.io

• Ersilia Model Hub Browsing: https://ersilia.io/model-hub

• Ersilia Model Hub Code: https://github.com/ersilia-os/ersilia

• Ersilia Model Hub Documentation: https://ersilia.gitbook.io/ersilia-book

• Publications mentioned during the course: shared folder