Improving your MDAKit
Adding new features
Developing your MDAKit can involve, for example, adding new features, or altering existing ones to improve performance or user-friendliness. This may come at your own initiative, or the request of a user.
How you develop your kit is up to you! Just remember it’s a good idea to develop the tests and documentation alongside the new code (and to run the existing tests to ensure you aren’t causing any unintended changes).
Go beyond the minimal MDAKit Registry requirements
The requirements for registering an MDAKit are intentionally minimal to keep the entry barrier low. Going beyond these minimal requirements is highly recommended.
This may include (but is not limited to):
More tests: can you get to 100% coverage?!
More documentation: Explain each part of your code. Add examples. Make your documentation visually appealing and easy to navigate!
Use tooling and workflows: set up and personalise automatic features to check code formatting, run your own automated testing (don’t rely solely on the MDAKit Registry’s CI!), automatically publish new releases, and more!
Community resources: make it easy for users to report issues, ask questions - or even contribute to your MDAKit themselves!
Release on PyPi/conda-forge: make it easier for users to install your kit!
Make a journal publication: get recognition for your code!
You could even opt to add a logo to add unique flair to your MDAKit!
Note
If applicable, remember to update your kit’s metadata so changes and additions are reflected on the Registry.