Workshop Requests

Do you use Python scripts or programs in your research? Would you like to learn how to develop your scripts into packages that others can use?

MolSSI offers the option of requesting Best Practices workshops at your instutition. If you would like to bring a Best Practices Workshop to your university, fill out this form to request one!

This course is taught in the Python programming language and includes the following topics:

• Package and environment management using conda
• Structuring a Python project
• Version control using git
• Code collaboration using GitHub
• Unit testing and the PyTest testing framework
• Code coverage
• Continuous integration tools
• Creating documentation using Sphinx and hosting your documentation online on ReadTheDocs.

This workshop is 1.5 days in length. The target audience is people who already have experience in the Python programming language who would like to learn how to develop their scripts into packages others can use.

To see more about topics covered in this workshop, please refer to the online materials.

For this request, we require guarantee of at least 15 attendees (maximum 35 students), and at least two months of advance notice. Requests which involve two or more research groups will be prioritized. A student or post doc must be provided as a point of contact for planning logistics.