Re: [Rdkit-discuss] similarity search

Hi Anna, On Tue, Nov 22, 2016 at 10:34 AM, Anna Lena Wölke < annalenawoe...@googlemail.com> wrote: > > I want to cluster a set of molecules and then search for similar molecules > in a different set. What commands do I need? > The RDKit cookbook includes some information about one clustering

[Rdkit-discuss] Installation of RDKit on windows 7

Hi, I am currently attempting to install RDKit after a (forced) re-installation of windows 7. I decided to use Anaconda Python and to get RDKit using the conda installer : C:\Users\jmn>conda create -y -c https://conda.anaconda.org/rdkit -n my-rdkit-env rdkit > rdkit_log.txt 2>&1 The -y flag

[Rdkit-discuss] similarity search

Hi all, I want to cluster a set of molecules and then search for similar molecules in a different set. What commands do I need? Thanks a lot, Anna -- ___ Rdkit-discuss mailing

[Rdkit-discuss] Installation of Rdkit on windows 7

Hi, -- Dr. Jean-Marc Nuzillard Institute of Molecular Chemistry CNRS UMR 7312 Moulin de la Housse CPCBAI, Bâtiment 18 BP 1039 51687 REIMS Cedex 2 France Tel : 33 3 26 91 82 10 Fax :33 3 26 91 31 66 http://www.univ-reims.fr/ICMR http://eos.univ-reims.fr/LSD/