This scripts can be used as standalone applications or by importing the key functions to other software. Scripts should support dask and distributed execution.
from conda
conda install -c conda-forge python=3.9 rdkit openbabel dask distributed
from pypi/github
pip install vina
pip install git+https://github.com/forlilab/Meeko@7b1a60d9451eabaeb16b08a4a497cf8e695acc63
CC BY-NC-SA 4.0