PLIP (Physical LassoLars Interactions Potential) is a Python package for machine learning interatomic potentials for materials modelling. Physical Lasso-Lars Interaction Potential (PLIP) has been developed to address the lack of interpretability of MLIPs. PLIP uses a physically motivated mathematical formulation for the potential and a constrained linear regression. The MLIP is constructed as a linear combination of classical interactions, including two-body, three-body, and many-body interactions. These interactions are made up of simple functions such as Lennard-Jones, Gaussian, and Slatter-type orbitals, as well as explicit angular functions and embedded atom-like interactions.
git clone https://github.com/LAM-GROUP/PLIP.git
cd PLIP
pip install .
The full documentation is available at plip.readthedocs.io.
The PLIP package was developed by Julien Lam, Akshay Krishna AK, Aurélien Roux
The PLIP package is distributed under terms of GNU GPLv3.