External tutorials and collections

Python programming

The TeachOpenCADD platform is not a Python programming course from scratch but teaches how to solve tasks in cheminformatics and structural bioinformatics programmatically. If you wish to get started first with a Python programming introduction before diving into the TeachOpenCADD material, here are a few great resources to do so:

• AI in Medicine course by the Volkamer Lab and Ritter Lab at the Charité: Introduction to Python basics, Jupyter Notebook, and important data science packages such as pandas, matplotlib, and scikit-learn

• Python for Chemists course by the GDCh/CIC team: Crash-course introduction to Python for natural scientists

• MolSSI Education Resources by The Molecular Sciences Software Institute: Collection of tutorials on Python programming basics and data analysis but also more advanced material on software development and computational molecular science

• Core lessons by the Software Carpentry: Introduction to Python, Git, command line interfaces and more

• Best practices for Python, Git and Jupyter, a slide deck used in the introduction of our CADD Block course 2021, part of the Master’s degree in Bioinformatics curriculum at the Freie Universität (FU) Berlin.

• 5 Minutes of Fame by the Czodrowski Lab are short sessions on Python-centric scientific and teachnological news

Jupyter notebook tutorials

• The cheat sheet for Jupyter Notebook.

• How to Use Jupyter Notebook: A Beginner’s Tutorial

Cheminformatics

The following resources are collections of interesting cheminformatics-related training material, blogs, and books.

• Curated list of resources from the RDKit UGM 2020

• A Highly Opinionated List of Open Source Cheminformatics Resources by Pat Walters

• Awesome Cheminformatics by Yi Hsiao

Structural bioinformatics

• Education & Tutorials by the Bonvin Lab