To this end, DrugEx is compatible with any python script that receives SMILES as input and produces a score as an output through the API. A separate package, QSPRpred (), was developed to simplify the development of QSAR models. The setup of QSPRpred is very similar to DrugEx, using the same structure of the API and command-line interface. It also comes with tutorials to help users get started. QSPRpred has a selection of scikit-learn 22 models and a Py-Torch 23 fully-connected neural network available through the API, so the user can train a wide variety of QSAR models. Furthermore, due to its modularity, QSPRpred is customizable; users can for example add new model types and molecular descriptors.