Example NNP Scripts

This repo is intended to help people getting started with neural network potentials (NNPs) run their first few jobs.

Running a Script

uv run path/to/script_name.py

Creating This Project

While creating this project, I ran the following commands:

git init

uv init

uv add ase orb-models sella numpy

Links:

• How to install git
• How to install uv