April Webinar Series – Python Package Development Best Practices

EDIT: We appreciate the great response we’ve seen to this workshop offering. We had capped the registration at 50 people to ensure that we can provide a high quality workshop to attendees, and we’ve already hit the registration limit. We are currently reviewing our personnel allocations for the workshop to see if we can expand and re-open registration. We will update this page and post a tweet if we are able to expand registration. 

MolSSI is pleased to announce that we will be holding an April webinar series on our Python Package Development Workshop. This workshop will be held over 2 weeks, with classes taking place on April 9, April 11, April 16, April 18, and April 19 from 1 PM to 4 PM ET (Eastern Time – the timezone of the Eastern United States) via Zoom.  This workshop series is offered at no cost to attendees.

Our best practices workshops introduce and promote MolSSI best practices to workshop attendees. In this course, students create a Python package using best practices and the MolSSI CookieCutter, write unit tests, create online documentation, and host this project on GitHub. The audience for this course is students or researchers who already regularly program in Python, but would like to learn how to start using version control, unit testing, and continuous integration in their projects. Prior programming experience is required to participate.

Classes will be held over Zoom, and each student should follow along with coding exercises on their laptop.

The Python Package Best Practices Course covers the following topics:

  • Conda and Python environments
  • Structuring a Python project using the MolSSI CookieCutter.
  • Version control using git
  • Python Coding Style
  • Online code repositories such as GitHub
  • Code collaboration and GitHub workflows
  • Unit testing and the PyTest testing framework
  • Code coverage
  • Continuous integration tools
  • Documentation for Python packages using Sphinx.

To sign up for the webinar, please fill out the registration here by April 5, 2024. You can see a tentative schedule here. Registration will be capped at 50 students.