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MLIP

Official repository of the Ruhr university Neural Network energy representation (RuNNer).

RuNNerASE is a collection of packages for training, evaluating, and analyzing machine learning potentials with RuNNer, the Ruhr university Neural Network energy representation.

Repository of instructions and scripts for MLIP runs on GPU with ASE and LAMMPS on HPC

All Jupyter notebooks and necessary resources used during the Hands-On sessions of the MLPFits 2026 workshop held in Bochum from 2026-03-02 to 2026-03-05.