Contribute outside GSoC

[ricard1997]

Hi all, I have just read that I missed the deadline for the pre-proposal. However, I have some code I developed regarding analysis of membranes that I would like to be included in MDAnalysis. Is there someone I can talk about this project? I do not need this to be part of GSoC, just would like to contribute to this software that has helped me a lot during my PhD.

[hmacdope]

@ricard1997 you are more than welcome to contribute to MDAnalysis! You are welcome to contribute to the main repo (see contributing guide), but it sounds like your work may be well suited to an MDAKit, a kind of plugin that houses specialist analysis.

[orbeckst]

There's a whole part of the discussion forum dedicated to MDAKits (and there's also a #MDAKits discord channel.

We have a tutorial on making an MDAKit and an overview video Making an MDAKit - a short introduction.

To learn more about MDAKits and our vision for more sustainable community developed molecular simulation tools, please see our SciPy proceedings paper:

• Irfan Alibay, Lily Wang, Fiona Naughton, Ian Kenney, Jonathan Barnoud, Richard J Gowers, and Oliver Beckstein. MDAKits: A framework for FAIR-compliant molecular simulation analysis . In Meghann Agarwal, Chris Calloway, and Dillon Niederhut, editors, Proceedings of the 22nd Python in Science Conference (SCIPY 2023), pages 76–84, Austin, TX, 2023. doi: 10.25080/gerudo-f2bc6f59-00a.

[ricard1997]

Thanks! Ill take a look and hope to collaborate soon