ECNet Documentation
Installation
Installation requires Python 3.11+.
Installation via pip
pip install ecnet
Additional dependencies (torch, sklearn, padelpy, alvadescpy, ecabc) will be installed during ECNet's installation process. If you have any trouble with these dependencies (or want to compile them yourself, e.g. PyTorch with GPU support), consider installing them from source before installing ECNet.
Upgrading via pip
pip install --upgrade ecnet
Installation from source
git clone https://github.com/ecrl/ecnet
cd ecnet
pip install .