Re: [cclib-devel] GSOC 19 - Advanced Analysis of Quantum Chemistry Data

[Karol L. <kar...@gm...>]

Hi Vignesh,

Thanks for the interest. There is some overlap between the code base on
this project idea, namely we have some methods implemented already. I don't
think we have any issues currently enumerating the methods mentioned in the
project idea - feel free to create an issue!

I invited you to the OpenChemistry slack workspace.

Also, are you aware that DeepChem is also participating in GSOC this year
as part of OpenChemistry? Be sure to check out their ideas (
http://wiki.openchemistry.org/GSoC_Ideas_2019#DeepChem_Project_Ideas),
perhaps they are more to your liking. That being said, of course I'm not
discouraging you from looking into cclib, just raising awareness to make
sure you find what's most interesting for you :)

Best,
Karol

On Thu, Feb 28, 2019 at 4:20 PM Vignesh Ram Somnath <
vso...@st...> wrote:

> Hi Karol,
>
> My name is Vignesh and I'm a Master student in Computational Biology at
> ETH Zurich. I was applying to the Google Summer of Code and was looking at
> projects under Open Chemistry, and was interested in the project *Advanced
> Analysis of Quantum Chemistry data. *
>
> My open source experience so far has been with DepeChem and you can find a
> list of my contributions at:
> https://github.com/deepchem/deepchem/pulls?q=is%3Apr+is%3Aclosed+author%3AVIGS25
>
> I wanted to get started with gaining some familiarity either with the
> quantum chemistry details of the project / the codebase for cclib.
>
> One doubt I had was how much overlap exists between the project idea and
> the current codebase. If a fair amount does, which issues should I start
> solving first, since I couldn't find issues marked for beginners.
>
> Regards,
> Vignesh Ram Somnath
> First Year Master's student
> Computational Biology and Bioinformatics
> ETH Zürich, Switzerland
>