To get up and running, first create the environment:

conda create --name adme-pred-py
conda activate adme-pred-py
conda install -c conda-forge -n adme-pred-py rdkit
conda install -c conda-forge -n adme-pred-py matplotlib

We want to replicate most of the functionality of SwissADME. We want the core code to be abstract enough that it can produce a extensive report on a single compound like SwissADME, or be used as a filter in a screen. (Ex. for compound in compounds if lipinski_druglikeness then ...) We will probably also want to implement some functionality from Open Source Bayesian Models.