I’d be happy to help with a MolVS-inspired standardization project.
Another possible starting point is the mysterious StructChecker already within
RDKit...
Matt
On 16 January 2018 at 18:04:24, George Papadatos ([email protected]) wrote:
Same here. I would also add the standardisation work done by Francis Atkinson
at the EBI as an additional starting point.
George.
Sent from my giPhone
On 16 Jan 2018, at 17:19, JP <[email protected]> wrote:
Joining the fray, +1 for MolVS
On 16 January 2018 at 16:00, Brian Cole <[email protected]> wrote:
+1 to the MolVS project as well.
Perhaps an easy bite-size project is to incorporate the open source mae parser
code into core RDKit: https://github.com/schrodinger/maeparser
On Mon, Jan 15, 2018 at 9:08 PM, Francois BERENGER
<[email protected]> wrote:
On 01/16/2018 05:51 AM, Tim Dudgeon wrote:
> Incorporating and "industrialising" Matt's MolVS tautomer and
> standardizer code?
> http://molvs.readthedocs.io/en/latest/index.html
If we can vote, I would vote for this one.
> On 15/01/18 07:09, Greg Landrum wrote:
>> Dear all,
>>
>> We've been invited again to participate in the OpenChemistry
>> application for Google Summer of Code.
>>
>> In order to participate we need ideas for projects and mentors to go
>> along with them.
>>
>> The current list of RDKit ideas is being maintained here:
>> http://wiki.openchemistry.org/GSoC_Ideas_2018#RDKit_Project_Ideas
>>
>> (Note: at the point that I'm pressing "send", that's still a copy of
>> last year's project ideas).
>>
>> If you're willing to be a mentor (please ask me about the ~5
>> hours/week required here) or have ideas, please reply to this thread.
>>
>> Best,
>> -greg
>>
>>
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