Introduction and Interest in Project

[Anushka Bansal]

Good day, Mentors.

My name is Anushka Bansal, and I am a third-year undergraduate student at the Indian Institute of Information Technology in Guwahati pursuing my BTech degree in Computer Science. I am comfortable programming in Python, but I primarily use the C++ programming language.

Last summer, I created a Face Recognition System with OpenCV and Python, as well as 2-3 basic Python projects. I'd like to contribute to the Transport Property Calculations project and learn and contribute to the best of my ability.

GitHub Repository of Face Recognition system.

Please guide me on how to start contributing to this project.

Yours Sincerely,

Anushka Bansal

[Project Manager MDAnalysis]

Hi Anushka,

Welcome to MDAnalysis!

MDAnalysis is a Python package for the analysis of computer simulations of systems at the atomic scale. We have a few introductory videos that can give you an idea of what problems MDAnalysis is solving.

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 to work on a single issue/PR at a time. Once you have one PR merged, you are of course very welcome to tackle another issue, and so on. 

Since you are interested in Project 4, we recommend working with the existing diffusion code and learning about writing analysis tools (using AnalysisBase). We look forward to your contribution.

All the best,
Jenna

 | Project, Community and Outreach Manager

                               MDAnalysis * https://www.mdanalysis.org/

                               a fiscally sponsored project of NumFOCUS
                               Twitter: @mdanalysis

                               Github: https://github.com/MDAnalysis