Installation

Source code

The entire PYGAMD package is a Free Software under the GNU General Public License. The pygamd engine, molgen plugin, and dataTackle plugin could be separately installed. The installation instructions for pygamd, molgen, and dataTackle are as follows.

1. Installation for pygamd:

   Requrements:
   
   1. Python3 including numba, numpy, cupy, and pybind11 packages
   2. NVIDIA CUDA Toolkit >= 7.0
   
   Installation:
   
   python3 setup.py install
   

2. Installation for PIP:

   pip install pygamd
   python3 setup.py install