LAMMPS-MACE

MACE is a machine learning software for predicting many-body atomic interactions and generating force fields. It utilizes higher order equivariant message passing for fast and accurate predictions.

More Information

For more information visit the LAMMPS-MACE website.

Available Versions

These versions of LAMMPS-MACE are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.