Re: [BlueObelisk-SMILES] Making progress on open chemistry file formats

[Greg L. <gre...@gm...>]

On Fri, Feb 17, 2017 at 2:47 PM, Geoffrey Hutchison <
geo...@gm...> wrote:

> > At the moment I believe that there is no "official" (to the extent that
> word has any useful meaning in a distributed version control environment)
> place for the OpenSMILES work. I'm only aware of the repo that's under
> Tim's github account, but if I missed something please let me know.
>
> https://github.com/opensmiles
>
> This already runs the OpenSmiles.org website and has taken a pile of pull
> requests. I'd be happy to add people as admins.
>

Hmm, I clearly did a crap job of my search for OpenSMILES. <sigh>


> > In the near term I would like to have a central place where we (=whoever
> is working on this effort) can collaborate; the idea of creating the
> OpenChemistryFileFormats org in github and forking those two repos was to
> provide that central place.
>
> There's certainly OpenChemistry and I can make sure anything happens there
> - I'm an admin of that org.
>
> I don't mind creating OpenChemistryFileFormats, but OpenChemistry already
> has https://github.com/OpenChemistry/chemicaljson which is supposed to be
> an open standard.
>

Looks like I may have been premature with the OpenChemistryFileFormats org.
I can always get rid of that if it's the right thing to do. I'd like to
have a central place for these things to live and for the collaboration to
happen and I don't have a strong opinion where that should be. The
advantage in my head of having a separate github org is that stuff is easy
to find and there's no confusion about what's part of the effort and what
not (for example, the ChemicalJSON format would not be in this initial
pass). The disadvantage is that there is a risk of being perceived as
"seperatists" (not sure what the right word is here) and loss of possible
"branding" benefits from being under the OpenChemistry label. I'll hold off
on doing anything with that github org until more feedback comes in here.

-greg