Benchmark Suite for Machine Learning Interatomic Potentials for Materials
NOTE: This package has been deprecated and all code has been moved to the updated maml package. Please use maml from henceforth. This package is retained for reference but it is archived and will no longer be updated or maintained.
The mlearn package is a benchmark suite for machine learning interatomic potentials for materials science. It enables a seamless way to develop various potentials and provides LAMMPS-driven properties predictor with developed potentials as plugins.
The usage of mlearn requires installation of specific packages and the plugins in LAMMPS. Please see detailed installation instructions for all descriptors.