So, do you work with Bob Nachbar? If so, please tell him I said hello.
-P. (ex-Schrödinger)
On Fri, Jan 12, 2018 at 10:06 PM, Jason Biggs <jasondbi...@gmail.com> wrote:
> To the developers of RDKit - this is a great package you've made and the
> level of support and responsiveness to bugs is fantastic.
>
> I've been working on adding chemistry functionality to Mathematica, and
> the RDKit is fundamental to this functionality. I'm writing here to see if
> there are any RDKit users who also use Mathematica, and if so, what kind of
> functionality you think is most important to include.
>
> This won't be like the python or java wrappers, but rather we are trying
> to design a Molecule object that is fully integrated with the rest of the
> Wolfram Language but uses an RDKit::ROMol as the underlying structure. As
> we find bugs, we will report them, and when we implement functionality that
> that isn't available in the RDKit, I'm hoping to add back to the community
> here.
>
> Best wishes,
>
> Jason Biggs
>
> PS - I find it to be surreal, but my boss has taken to live-streaming our
> design meetings regarding the chemistry functionality, so if anyone is
> interested to watch they are here: https://www.twitch.tv/stephen_
> wolfram/videos/all
>
>
>
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