MLMOD: Machine Learning Methods for Data-Driven Modeling in LAMMPS

<code>Mlmod</code> provides a software package for incorporating machine learning approaches and models into microstructure simulations. The package allows for use of machine learning methods with general model classes from PyTorch including Neural Networks, Gaussian Process Regression, Kernel Models, and other approaches. This is a prototype C++ package, along with a python interface. The package is integrated with the mesocale and molecular dynamics simulation package LAMMPS. For more information see https://github.com/atzberg/mlmod and http://atzberger.org