The packages required to execute ENERGIZE can be installed through Conda or Pip.
Conda
A conda environment can be created from an exported yaml file that contains all the required dependencies:
conda env create -f environment.yml
After the environment is created, activate it to be able to run your code:
conda activate energize
pip
Alternatively, the requirements.txt file can be used. Note that CUDA Toolkit and other libraries that might be required to enable GPU acceleration are not installed this way.
pip install -r requirements.txt
Note: Installing ENERGIZE as a Python library is not yet supported