Re: [Rdkit-discuss] ImportError: No module named rdkit
Open-Source Cheminformatics and Machine Learning
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From: Markus S. <mar...@gm...> - 2017-09-15 07:30:26
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Well, if you have python 2.7 and 3.5 already running ,you can use (mini)conda for the RDKit installation (conda is anaconda but instead of one huge package you can install the packages you want including RDKit) On Fri, Sep 15, 2017 at 9:12 AM, Loris Bennett <lor...@fu...> wrote: > Hi Greg, > > Greg Landrum <gre...@gm...> writes: > > > I'll provide a more detailed answer in a bit, but since you aren't > > using the system python anyway, is there any chance that you could > > switch to anaconda python on your machines? Anaconda is a great python > > distribution for scientific applications and it makes many things > > (including system administration) a ton easier. > > Anaconda might be a possibility. On the other hand we already have 3 > versions of Python in use: 2.6 from the OS, and 2.7 and 3.5 from the > Software Collections. In addition, the current cluster is nearing its > end-of-life, probably before the end of the year and so I am somewhat > loathe to install yet another one and add to my can of worms (or pit of > snakes). > > However, now I have a slight handle on the problem and know that there > is a responsive and helpful mailing list to back me up, I'm happy to > invest a little more time in trying another source build. > > Cheers, > > Loris > > -- > Dr. Loris Bennett (Mr.) > ZEDAT, Freie Universität Berlin Email lor...@fu... > > ------------------------------------------------------------ > ------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > Rdkit-discuss mailing list > Rdk...@li... > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss > |