Machine Learning Interatomic Potentials (MLIP for short) is a software package being developed by the group of Alexander Shapeev (Skoltech). The currently supported is the second version supporting multicomponent MTP, see the Download and Documentation sections.

This project has started as a part of the Skoltech NGP Program No. 2016-7/NGP (a Skoltech-MIT joint project) and is now funded by the Russian Science Foundation project RSF 18-13-00479.