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.

The previous version, distributed under a BSD license, supported only single-component materials (like pure carbon or pure iron) – we no longer distribute it.

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.