Install the OpenEye Toolkits into a virtual environment:
$ mkvirtualenv fastrocs (fastrocs) $ pip install --extra-index-url https://pypi.anaconda.org/OpenEye/simple OpenEye-toolkits
Once installed, follow the instructions in Tutorial 0: Basic usage of FastROCS TK to get you started.
Hardware Performance Comparison¶
The following graph shows the performance of FastROCS TK on some modern GPU models.
Performance can vary with driver versions and other factors. The above graph is meant as a general guide of what performance customers can expect. It is highly recommended to go with a certified vendor like Exxact to ensure best performance.