GSOC Project

[Pandey Ganesha]

I am Ganesh, student of Computer Science Engineering. I want to contribute to project 2 and project 4 but I have no scientific expertise in Molecular Modelling. So, can I still be a part of this project? I am a fast learner and always ready to learn the things required to finish a project. I would love to show that I can contribute.

I can code with python.

GitHub Profile: Ganesh910

Please guide me if I can or let me know if I am not eligible.

[Project Manager MDAnalysis]

Hi Ganesh,

Welcome to MDAnalysis, and thank you for expressing your interest in the project!

The skills required for the suggested projects are outlined on the Project Ideas page of the MDAnalysis Wiki. Project 2 is an interesting and important project if you work in the MD field. Please have a look at the "Interoperability Roadmap", if you haven't already. Is there a particular package you would like to have interoperability with? You should have some experience with the other libraries that you write the interoperability layer for. Aside from good knowledge of programming in Python, it is beneficial to have a good grasp of Mathematics/Physics for Project 4. For Project 4, we recommend working with the existing diffusion code and learning about writing analysis tools (using AnalysisBase).

The best way to get started is to get your hands dirty following the MDAnalysis User Guide. We suggest starting with installing the MDAnalysis package and going through the Quick Start Guide. Other sections of the User Guide go into many more details about the different capabilities of MDAnalysis.

Once you are a bit familiar with the MDAnalysis package, you can look at the sections of the User Guide explaining how to contribute. There are detailed explanations on how to set up a developer environment and how to contribute to the MDAnalysis codebase. This is a great starting point for contributing to MDAnalysis and trying to solve some of the open issues.

Our blog post is the starting point for all GSoC 2023 things, and we have a FAQ. As per the FAQ, candidates must have code merged to be eligible to apply to GSoC with MDAnalysis. On the MDAnalysis repository, you can find several issues tagged with "good first issue", "Difficulty easy", or "GSoC Starter". Please bear in mind, you can only attempt one issue tagged as a GSoC Starter. Note also that we do not assign issues to people; we review the first pull request (PR) that solves an issue. Therefore, you can work on any issue you would like that does not already have an open/active PR against it. We also strongly suggest working on a single issue/PR at a time. Once you have one PR merged, you are of course welcome to tackle another issue, and so on. 

Once you have had your first PR merged, the next step would be to draft your proposal. See here for our guidance on "How to write a great application." To seek feedback from the MDAnalysis mentors, register as a contributor and submit your project idea. Please upload a PDF (`DRAFT` in the file name) of your proposal - which includes a Google doc link to your proposal - to the GSoC program website. Mentors can then provide feedback directly on your Google doc. When you are ready to submit the final version of your proposal, you can export your Google doc proposal as a PDF and re-upload to the GSoC site.

We look forward to your contribution.

All the best,
Jenna

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GSoC 2023: Read https://www.mdanalysis.org/2023/02/22/gsoc2023/
Our FAQ: https://github.com/MDAnalysis/mdanalysis/wiki/GSoC-FAQ
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MDAnalysis * https://www.mdanalysis.org/

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