Dear Pau,
On Tue, Sep 22, 2015 at 6:44 AM, Pau Carrio Gaspar <[email protected]>
wrote:
> Dear fellow RDKitters,
>
> the RDKit community is always so helpful that I wanted share back a R
> package which I thought that it could be of use to others, as well.
>
Thanks for letting us know about this.
> My pipelines are mostly in R so using RDKit API was not straightforward. I
> collected in an R package a set of functions to cover my requirements (
> reading/writing sdf/smiles, basic mol manipulation, computing mw, etc. ) in
> a pragmatic approach.
> The packages accesses an installed RDKit via R friendly functions.
>
Looks like you've already made a really good start on this. I'm looking
forward to seeing how it evolves!
> If you are interested, please have a look at the GitHub repo.
>
> https://github.com/pauca/RRDKit
>
> Comments, bug and suggestions are welcome.
>
I'm not an R user, so I can be of much concrete help on that part, but if
there's anything I can help with in terms of understanding the RDKit
pieces, please let me know.
Best,
-greg
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