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This lesson by the [Molecular Sciences Software Institute]({{ site.molssi_site }}) (MolSSI) teaches users MolSSI's best practices in Python package development.

MolSSI best practices provides a starting point to get into software development operations to ensure that your code is reliable and reproducible while decreasing long-term maintenance requirements, increasing long-term viability, and allow others to work on your code base to assist your own efforts. Before starting into MolSSI best practice one must first think about the user base of a given project whether this is a project only used by yourself, within a small group, or a large community project. If your project is small and personal you may want to consider each topic in detail before implementing while for large community projects each topic is quite crucial.

This lesson is under continual development, please report issues to the [workshop repository]. If you see a subject you would like to contribute to, submit a pull request!

Prerequisites

This material is best suited for people who have experience scripting in Python and are ready to learn about how to make their scripts into a software package. You should have experience programming Python and in using the terminal (or shell).

You can see a tutorial on using the shell from Software Carpentry. {: .prereq}

{% include links.md %} [workshop repository]: https://github.com/MolSSI-Education/python-package-best-practices