This repository contains notebooks for the ML workshop of the RADAR general assembly in January 2026. Due to time constraints, we do not include a Python or Jupyter introduction. However, if you are interested, you can find a Python/Jupyter introduction in our repo with the workshop material of the AI in Chemistry conference 2025.
This repository contains Jupyter Notebooks (.ipynb) designed to be run using Google Colab. No local installation is required.
- Open Google Colab: https://colab.research.google.com/
- Click GitHub
- Enter this repository, i.e., https://github.com/volkamerlab/Programming4RADAR, in the search field.
- Select the starting notebook by clicking on
intro_supervised_ML.ipynb.
A Jupyter Notebook is made up of cells. The two main types used in this repository are:
- Contain Python code in our examples
- Used for computation, data processing, and visualizations
- Produce output when executed (e.g., text, tables, plots), e.g., press Shift + Enter to run the cell
Example:
print("Hello, world!")- Contain formatted text such as headings, explanations, lists, links, and equations
- Used to explain what the code is doing
- Do not execute Python code
- Markdown cells support simple formatting like:
- ''#'' for headings
- bold and italic
- Bullet points and numbered lists