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.
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. If you are interested, please have a look at the GitHub repo. https://github.com/pauca/RRDKit Comments, bug and suggestions are welcome. Kind regards, Pau
------------------------------------------------------------------------------
_______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
