My Introduction

[Saarini Ritesh]

Hello there!

 I'm Saarini Ritesh, a second-year student at UPES Dehradun in India, pursuing a B.TECH in CSE with a specialization in Artificial Intelligence and Machine Learning. I've been keeping an eye on your Python toolkit for some time now and find it incredibly fascinating. 

I'm proficient in Python and math, making me an ideal fit for Project 4, though I'm also interested in working on Project 3. I'm excited to contribute to the development of your toolkit as part of the Google Summer of Code initiative for 2023. As I explore the toolkit further, I find it more and more intriguing, and I would be thrilled to become a part of the team and contribute to its success.

Thank you. 

Regards,

Saarini Ritesh. 

[Project Manager MDAnalysis]

Hi Saarini,

Welcome to MDAnalysis!

If 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. 

Could you please provide your GitHub handle? This is helpful for GSOC mentors to track which applicants are working on which issues. Since you are interested in Project 4, we recommend working with the existing diffusion code and learning about writing analysis tools (using AnalysisBase). To further explore Project 3, we would suggest you add a new benchmark case to the library to learn how benchmarking works. You could start by having a look at the benchmarks folder in MDAnalysis and the related documentation. 

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

[Priyansh Mathur]

Hey there everyone!

I'm super excited to introduce myself! My name is Priyansh Mathur and I can't wait to get involved with your organization. The way you use quantitative methods to describe your project ideas for computational problems completely blew me away and I just had to get on board.

Science, especially Physics, has always been a fascination of mine since I was a kid. The idea of researching and creating something completely new has always had me hooked. Currently, I'm in my pre-final year studying Computer Science and Engineering. The thought of combining computer science concepts with my childhood interests has me on the edge of my seat, and the project ideas sound like an absolute blast to work on.

I've got a strong handle on Python and its fundamental packages, as well as some beginner-level knowledge of NetworkX. Plus, I've worked with Matlab and Simulink software before - you know, the ones used in Mathematics, Science, and loads of other fields.

I truly believe that my interests are perfectly aligned with the objectives of MDAnalysis, and I'm eager to dive in and reignite my passion for Science. Can't wait to get started and work with you all! 

I would kindly request that you kindly provide me with the appropriate format for presenting and submitting my proposal on the GSOC portal.

Hoping to hear from you soon,

Best regards,

Priyansh Mathur

(Github handle - priyanshmathur)

[Project Manager MDAnalysis]

Hi Priyansh,

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 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. Please have a look at our Project Ideas and let us know if any of these in particular are of interest to you. We always welcome original project ideas as well. To submit your proposal, register as a contributor and submit your project idea to seek feedback from the MDAnalysis mentors. 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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