# Online Workshop

## 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

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

All course contents are released under a [CC-BY-SA 4.0](https://creativecommons.org/licenses/by-sa/4.0/) license. Please use the appropriate attribution if you reuse them.

* **Day 1: Data Cleaning and chemical space visualisation**
  * [Slides](https://drive.google.com/file/d/1LiCecqvJWEQn1WPQilPl70oX_-elYxxT/view?usp=drive_link) and [Recorded session](https://www.youtube.com/watch?v=BVU_avjy6Lk)
  * [Dataset for activity](https://drive.google.com/file/d/1s0L36SltG2mArJkC_wUYTYZoUxWC6-VM/view?usp=drive_link)
  * [Activity submission form](https://forms.gle/APXUDYym7JmLjZcv6)
  * [Evaluation form](https://docs.google.com/forms/d/e/1FAIpQLSdS5FIiTSm6Unq-CDBzt3Z5qGeMD-LQCz19XG5wl84MX3aY7g/viewform?usp=sharing\&ouid=117577258963070079301)
* **Day 2: Predicting antimicrobial activity**
  * [Slides](https://drive.google.com/file/d/1YFVDRcfkCqT32NBkmpC5IsGdQ2TNFl22/view?usp=drive_link) and [Recorded session](https://www.youtube.com/watch?v=N_IzIi-CfVk)
  * [Dataset for activity](https://drive.google.com/file/d/1fSWe9Ad88UA9PgCv38m_Et4yTpyGkYx5/view?usp=drive_link) & [results](https://drive.google.com/file/d/1leJyggA3FK_o7IEC3JP3gzZ85_ayj8rQ/view?usp=drive_link)
  * [Activity submission form](https://forms.gle/APXUDYym7JmLjZcv6)
  * [Evaluation form](https://docs.google.com/forms/d/e/1FAIpQLSdr8wKgC2F8ruu_Sz4CDFuixupZwzkN-mUMjpXvKnb3MufoGQ/viewform?usp=sharing\&ouid=117577258963070079301)
* **Day 3: Virtual screening cascades**
  * [Slides](https://drive.google.com/file/d/14Dd1ENCrU_CUYB9N7crFpBNZrWnphfO_/view?usp=sharing) and [Recorded session](https://www.youtube.com/watch?v=QiH-e0xGLt4)
  * [Activity submission form](https://forms.gle/APXUDYym7JmLjZcv6)
  * [Evaluation form](https://docs.google.com/forms/d/e/1FAIpQLSfZClO6_bZZ1kGjzQD8cmAWIzV2F1tww2rco6vPpBxan8Wpgg/viewform?usp=sharing\&ouid=117577258963070079301)
* **Day 4: Beyond the course: What’s next in AI for drug discovery?**
  * [Slides](https://drive.google.com/file/d/1AhcftNckEw_tsUjMfVV6uud-zgdOPML2/view?usp=drive_link)
  * [Activity submission form](https://forms.gle/APXUDYym7JmLjZcv6)
  * [Evaluation form](https://forms.gle/nkpNEBmkJMEWqF76A)

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Links will be updated one hour before the session.
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## Resources

Additional resources you can use during and after the course:

* Ersilia Model Hub Interface: [https://hub.ersilia.io](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](https://drive.google.com/drive/folders/1yXXZBIEME-XFjtUp8JraIYE47iVjNR1V?usp=drive_link)

## Funding

This workshop is part of the Schmidt Sciences AI2050 Fellowship awarded to Prof. Kelly Chibale.

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