If you do not have root access or do not want to use pip, you can use the PYTHONPATH installation method.

  1. Download the tarball that matches the python version, operating system, and architecture of your target machine’s configuration. The OpenEye Python Toolkits packages can be download from

  2. Untar the downloaded distribution tarball:

    $ tar xvf OpenEye-toolkits-python3-linux-x64-2019.4.2.tar.gz

    This will yield a directory structure like the following:

  3. Set the PYTHONPATH environment variable in order to enable the Python interpreter to find the openeye` directory. The PYTHONPATH environment variable can be set in your shell startup script ~/.bashrc For example, if the package was untarred into the /usr/local directory:

    export PYTHONPATH

    The syntax and location may vary if you use a shell other than bash.

    The equivalent can be done in Python code as follows:

    $ python
    >>> import sys
    >>> sys.path.append("/usr/local/OpenEye-toolkits-python3-linux-x64-2019.4.2")

    Substitute the path to the actual toolkit location.

    All the toolkit examples can be found in the examples directory. From the examples directory on the command line, the examples can be run using a command such as:

    $ python oechem/
    Installed OEChem version: 2.2.0 platform: linux-g++4.x-x64 built: 20190501