Installation

Conda dependencies

GOOD depends on PyTorch (>=1.6.0), PyG (>=2.0), and RDKit (>=2020.09.5). For more details: conda environment

Note

Note that we currently test on PyTorch (==1.10.1), PyG (==2.0.3), RDKit (==2020.09.5); thus we strongly encourage to install these versions.

GOOD installation

git clone https://github.com/divelab/GOOD.git && cd GOOD
# In your anaconda environment
pip install -e .