An interesting publication Bosc, N., Felix, E., Arcila, R. et al. MAIP: a web service for predicting blood‐stage malaria inhibitors. J Cheminform 13, 13 (2021). https://doi.org/10.1186/s13321-021-00487-2.

We describe the development of an open-source software platform for creating such models, a comprehensive evaluation of methods to create a single consensus model and a web platform called MAIP available at https://www.ebi.ac.uk/chembl/maip/. MAIP is freely available for the wider community to make large-scale predictions of potential malaria inhibiting compounds. This project also highlights some of the practical challenges in reproducing published computational methods and the opportunities that open-source software can offer to the community.

The code to standardise the compounds and train the models is available on GitHub:

standardiser: https://github.com/flatkinson/standardiser.

ModifiedNB: https://github.com/chembl/ModifiedNB.

mmv_train_image: https://github.com/chembl/mmv_train_image.

The ready to use Docker image to generate the models is available at https://hub.docker.com/r/chemblgroup/mmv_train. The MAIP platform is available at https://www.ebi.ac.uk/chembl/maip/.