Install OpenEye, Scikit-learn, TensorFlow in a Virtual Environment

Today, I would like to install OpenEye, Scikit-Learn, as well as some other Python packages on Linux cluster. However, I didn’t have the host permission to do that. Thus, I have to learn how to install them in a virtual environment. In fact, it is cool!

1. Make sure you have installed “pip”, and “virtualenv”


2. Created a virtual environment directory, here I used the name “env”


“$ virtualenv env”

The crucial packages pip and setuptools are installed, which allow other packages to be easily installed to the environment. This associated pip can be run from $env/bin/pip


3.  Activate the script

$ source /env/bin/activate


4. Install the file

Go to /env/lib/python2.7/site-packages

Then, $ env/bin/pip install OpenEye-toolkits-python2.7-redhat-6-x64-2017.2.1.tar.gz

$ env/bin/pip install scikit-learn

$ env/bin/pip install –upgrade

Note: $ env/bin/pip install –upgrade tensorflow may lead to an error

Could not find a version that satisfies the requirement tensorflow (from versi ons: )
No matching distribution found for tensorflow


5. Install the license file

Go to the  bashrc. file, and set the environment variable as follows

export OE_LICENSE=~/env/bin/oe_license.txt



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