ersilia-os/ai2050-dd-workshop

Materials and apps for the four-day AI/ML tools for drug discovery workshop held in Ghana in September 2024. # AI/ML Tools for Drug Discovery Workshop H3D Foundation & Ersilia Open Source Initiative Welcome to the AI/ML Tools for Drug Discovery Workshop repository! This repository contains all the necessary apps for the 4-day workshop held in Ghana in September 2024. Read all the documentation around the course here ## Content - Day 1: Chemical space exploration - Day 2: Building machine learning classifiers to predict bioactivity - Day 3: Sampling the chemical space - Day 4: Recap using the Ersilia Model Hub ## Getting Started To run the workshop apps, follow these steps: 1. Make sure you have the required dependencies installed. You can find the list of dependencies in the `requirements.txt` file. The requirements file is located in each subfolder (e.g. `apps/day1/`). 2. Run the following command to start the app for Day 1: ``` streamlit run apps/day1/app.py ``` Replace `day1` with the corresponding day number to run the app for a different day of the workshop. That's it! You should now be able to access and interact with the workshop apps. ## License This project is licensed under the GPLv3. ## Contact If you have any questions or need further assistance, please contact us at hello@ersilia.io.