uf3/uf3
UF3: a python library for generating ultra-fast interatomic potentials
This tool helps materials scientists, chemists, and physicists simulate all-atom dynamics more efficiently. It takes in atomic configuration data and rapidly generates highly accurate force fields. You can use this to predict material behavior over long simulation times and for large systems without sacrificing accuracy.
Available on PyPI.
Use this if you need to run large-scale or long-duration atomistic simulations and require both computational speed and reliable predictive accuracy.
Not ideal if your primary need is for simulations where interpretability of complex multi-body interactions is more critical than ultra-fast execution.
Stars
70
Forks
28
Language
Python
License
Apache-2.0
Category
Last pushed
Feb 26, 2026
Commits (30d)
0
Dependencies
12
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