[Openchemistry-developers] Regarding GSoC

[Greg Landrum]

[replying from my gmail account, where I do most of the RDKit work]
Dear Anishka,
Thanks for expressing an interest! I've CC'ed the openchemistry-developers list (http://public.kitware.com/mailman/listinfo/openchemistry-developers) on this message because as a first-time GSoC mentor I'm hoping to get a bit of mentoring myself from the community. It's also a good place for these discussions. You will definitely want to subscribe to that mailing list if you haven't already.
If you choose to propose to work on an RDKit-related project: A good way to get started is to gain a bit of familiarity with the RDKit itself and to start by fixing a bug or implementing a small feature and submitting a PR with your change. That let's you start to learn the code base and us (as well as the folks who evaluate the actual applications) get to know you and your coding style a bit. You will want to take a look at the RDKit source and try to maintain a consistent style in terms of the fix and how it is tested. I'm happy to help with that (probably best done using the rdkit-devel mailing list: https://lists.sourceforge.net/lists/listinfo/rdkit-discuss)
>From my perspective as the RDKit maintainer, if you feel comfortable undertaking a C++ project, I would suggest the "Generalized Fingerprinting Function" project, for which I am the mentor.
As you're thinking about the small "starter project": the open RDKit issues are all in the github tracker where you can take a look for some ideas. The closest one that's relevant to the fingerprinting code is this: https://github.com/rdkit/rdkit/issues/814. That's not overly complex or large as a starting point. Of course, if you see something else that seems interesting, feel free to pick something else.
I hope this helps,-greg


_____________________________
From: Anishka Gupta <rimjhim0107 at gmail.com>
Sent: Sunday, March 5, 2017 5:37 PM
Subject: Regarding GSoC
To:  <geoffh at pitt.edu>


Hello Sir/Madam,I am Anishka Gupta, a 2nd year student of NIT Hamirpur, India. I am pursuing a B.Tech. in Computer Science and Engineering.I wish to participate in GSoC 2017 with your organisation, Open Chemistry. I am proficient in Python, C++, C, Java, JavaScript, Shell, web and mobile app development, web scraping, scripting.
I have seen all the projects on the ideas page and I felt particularly interested in the projects :1. Integrate with RDKit (under Avogadro 2)2. Create a generalized fingerprinting function (under RDKit)3. RDKit - OpenMM Integration (under RDKit)4. Implement MMTF Format (under OpenBabel)5. YAeHMOP as a library (under Micellaneous)6. Discovering computational chemistry content online (under cclib)
I am ready to work on any of the above projects depending on availability of mentors and requirements of students.
Could you please guide me regarding the projects, how to get started and where I can find the source code and other resources. Also, is there any qualification task for it?
I will submit the application to you when required.
Regards,
Anishka Gupta

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://public.kitware.com/pipermail/openchemistry-developers/attachments/20170305/cf7a82ed/attachment.html>