[Openchemistry-developers] Interested in GSoC Mentorship

[Karol Langner]

Hi Somesh,

Here's a bug that is ripe for fixing:
https://github.com/cclib/cclib/issues/452. You'd need to basically take the
logfile Jaime attached there, debug why there is an error, and fix the code.

- Karol

On Sat, Feb 24, 2018 at 10:19 AM, Somesh Mohapatra <pikulsomesh at gmail.com>
wrote:

> Hi Karol
>
> I have been playing around on CCLib, and been trying to consolidate the
> compchem databases.
>
> Can you direct me to certain issues on https://github.com/cclib/
> cclib/issues that I may look into?
>
> ᐧ
>
>
> Somesh Mohapatra
> Graduate Student (Fall 18)
> Department of Materials Science and Engineering
> Massachusetts Institute of Technology
> Contact - +91 7060 33 45 66
> E-Mail - pikulsomesh at gmail.com
> Website - someshmohapatra.in
>
> On Tue, Feb 20, 2018 at 9:29 PM, Karol Langner <karol.langner at gmail.com>
> wrote:
>
>> Hi Somesh,
>>
>> Sounds good. Let us know if you need any further information.
>>
>> Karol
>>
>> On Tue, Feb 20, 2018 at 7:32 AM, Somesh Mohapatra <pikulsomesh at gmail.com>
>> wrote:
>>
>>> Hi Karol
>>>
>>> Thanks, I will work out a draft proposal soon and develop demo codes, as
>>> suggested. I was also considering the Machine Learning spooled to parsing
>>> project.
>>>
>>> For the time being, I will go through cclib and the existing databases,
>>> and get back to you by the end of the week.
>>>
>>> Somesh.
>>>
>>> On Feb 20, 2018 8:55 PM, "Karol Langner" <karol.langner at gmail.com>
>>> wrote:
>>>
>>> Hi Somesh,
>>>
>>> In that case I suppose what we'd like to see in the application is what
>>> you think the main goals of this project should be, and how you want to get
>>> there. It's not immediately obvious how that paper builds into a
>>> just-scraping project, but of course we're open to modifying the project or
>>> even an entirely new idea, especially if it's connected to earlier research.
>>>
>>> I would encourage you to try out cclib a bit in practice - try parsing
>>> some logfiles, try looking for some online and parsing those. For scraping
>>> itself, there are a lot of non-compchem tools out there that can be used,
>>> and any demo code you can put together during the application period would
>>> also be an advantage. There are also many compchem databases and
>>> repositories already online, so it's also important how those would fit
>>> into a crawler/scraper ecosystem.
>>>
>>> I would also encourage you to look around at the other OpenChemistry
>>> projects for a while, you might find some more projects that look
>>> interesting to you.
>>>
>>>
>>> On Tue, Feb 20, 2018 at 7:13 AM, Somesh Mohapatra <pikulsomesh at gmail.com
>>> > wrote:
>>>
>>>> Apart from enlisting, we can also go on similar lines as the following
>>>> paper -
>>>>
>>>> https://www.nature.com/articles/s41524-017-0055-6
>>>>
>>>> This work is by the lab I am looking forward to join at MIT, so that
>>>> makes the GSoC project a hands on experience prior to starting there.
>>>>
>>>> Somesh.
>>>>
>>>>
>>>> On Feb 20, 2018 8:39 PM, "Somesh Mohapatra" <pikulsomesh at gmail.com>
>>>> wrote:
>>>>
>>>> Hi Karol
>>>>
>>>> Yes, that is the one.
>>>>
>>>> Somesh.
>>>>
>>>>
>>>> On Feb 20, 2018 8:36 PM, "Karol Langner" <karol.langner at gmail.com>
>>>> wrote:
>>>>
>>>> Hi Somesh,
>>>>
>>>> Nice to hear from you. Which project is the "content enlisting
>>>> project"? Do you mean the cclib web scraper?
>>>>
>>>> - Karol
>>>>
>>>> On Sun, Feb 18, 2018 at 2:09 AM, Somesh Mohapatra <
>>>> pikulsomesh at gmail.com> wrote:
>>>>
>>>>> Dear Karol
>>>>>
>>>>> I have recently been accepted to MIT for PhD in Materials Science, and
>>>>> looking forward to be a part of GSoC over the Summer of 2018. I have
>>>>> earlier worked on Computational Materials Science and simulations for my
>>>>> projects (Resume, attached), and then on Bioinformatics and Computational
>>>>> Biology.
>>>>>
>>>>> I am looking forward to hone my coding skills and contribute to the
>>>>> Computational Chemistry content enlisting project. I am open to
>>>>> understanding other projects as well, if you see that based on my skillset,
>>>>> I would be a better fit in another work.
>>>>>
>>>>> Looking forward to discuss more on the possibilities!
>>>>>
>>>>> Somesh Mohapatra
>>>>> Graduate Student (Fall 18)
>>>>> Department of Materials Science and Engineering
>>>>> Massachusetts Institute of Technology
>>>>> Contact - +91 7060 33 45 66
>>>>> E-Mail - pikulsomesh at gmail.com
>>>>> Website - someshmohapatra.in
>>>>> ᐧ
>>>>>
>>>>
>>>>
>>>>
>>>>
>>>
>>>
>>
>
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