INTRODUCTION

[Mohit Kumar]

Hello GSOC mentors,

My name is Mohit Kumar, and I am excited to apply for GSOC 2023. I am a first-year student at IITM studying Data Science, and I am passionate about Python programming. I have been active on this repository for the past 2-3 months, and I am familiar with the work that has been done here.
I am particularly interested in project ideas 3 and 4, as I believe my skills and interests align well with these projects. While I have not yet built any significant projects, I am eager to learn and contribute to this community. I am looking forward it as my first project.

Thanks and Regards
Mohit Kumar

[Mohit Kumar]

Dear Mentors , 

I am Mohit Kumar and first year student at IIT Madras doing Data Science and Programming. I am a passionate about python and it's applications blows my mind. I want to learn through open source which took me to Molecular Dynamics Analysis. I have been active on this repository for the past 2-3 months. I am particularly interested in project ideas 3 and 4, as I believe my skills and interests align well with these projects. I am an open source beginner and looking it as my first project.

[Estefania Ojeda]

Hi Mohit,

Welcome to MDAnalysis! We really appreciate your interest in our projects! 

Could you please provide your GitHub handle and the issues numbers you have been working on so far? It will help all GSoC mentors to identify candidates.

Thanks,
Estefania

[Mohit Kumar]

Thanks Estefania for response. My github handle is MohitKumar020291 and issues I had/will work on issue 3993 (closed) and issue 3925 (yet to open a PR).

Thanks and Regards 

Mohit Kumar

[Mohit Kumar]

Hello mentors 

I used user guide and it was awesome. Kindly , provide some resources useful for project 3 and 4. I apologize for asking a lot but it will be very helpful for me.

Thanks  

[Rocco Meli]

Hello,

We are glad to hear you enjoyed going through the user guide!

For project (3) "Benchmarking and performance optimisation" we suggest you add a new benchmark case to the library to learn how benchmarking works. You can start by having a look at the benchmark/ folder in MDAnalysis, and the related documentation:

https://github.com/MDAnalysis/mdanalysis/tree/develop/benchmarks

For project (4) "Transport property calculations" we suggest that after you learned how to use MDAnalysis, you’ll play with the existing diffusion coefficient calculation module to get an idea how the existing transport code works and what you can use to build on.

Best,

Rocco