So much to do, so little time

Trying to squeeze sense out of chemical data

Updated version of rcdk (3.2.3)

with 2 comments

I’ve pushed updates to the rcdklibs and rcdk packages that support cheminformatics in R using the CDK. The new versions employ the latest CDK master, which as Egon¬†pointed out¬† has significantly fewer bugs, and thanks to Jon, improved performance. New additions to the package include support for the LINGO and Signature fingerprinters (you’ll need the latest version of fingerprint).

Written by Rajarshi Guha

October 6th, 2013 at 11:17 pm

Posted in software,cheminformatics

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2 Responses to 'Updated version of rcdk (3.2.3)'

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  1. John also changed the versioning scheme… 1.5.4.git is not the latest after 1.5.4 but before 1.5.4, in align with Maven practices.

  2. actually, rcdk uses the master branch not the last stable release

    Rajarshi Guha

    9 Oct 13 at 2:24 pm

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