May Webinar Series – Python Package Development Best Practices

MolSSI is pleased to announce that we will be holding a May webinar series on our Python Package Development Workshop. This workshop will be held over 4 weeks, with classes taking place on four Fridays in May (May 8, May 15, May 22, and May 29) from 1 PM to 4 PM EST (Eastern Standard 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 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 Data and Scripting 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 May 6, 2020. Registration will be capped at 40 students.