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I want to use RDkit with python3 in windows OS

But here are something I got confused

Besides the author said the most recommend way is anaconda(I don't want this),the other way is to install RDkit with release binary package. But as I follow the document as BELLOW:

  • Get the appropriate windows binary build from: https://github.com/rdkit/rdkit/releases
  • Extract the zip file somewhere without a space in the name, i.e. C:\
  • The rest of this will assume that the installation is in C:\RDKit_2015_09_2
  • Set the following environment variables:
  • RDBASE: C:\RDKit_2015_09_2
  • PYTHONPATH: %RDBASE% if there is already a PYTHONPATH, put ;%RDBASE% at the end.
  • PATH: add ;%RDBASE%\lib to the end


    I do got the latest releases

    I unzip the package

    But the directory doesn't have the sub dir name "lib" in last step: PATH: add ;%RDBASE%\lib to the end

    What can I do? do I mkdir named lib at there? Or just the binary package is not full?

    besides, if i want to use compile source code way,the example enviroment is python2.7,can i compile it with python3?

    • llinvokerl
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    chen suyin
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    1 Answers1

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    i have fix this problem

    the result i put on my github

    Halil İbrahim Oymacı
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    chen suyin
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