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

While creating this project, I ran the following commands:

git init

uv init

uv add ase orb-models sella numpy

Links:

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
simple_optimization		simple_optimization
.python-version		.python-version
LICENSE		LICENSE
README.md		README.md
pyproject.toml		pyproject.toml
uv.lock		uv.lock