zmyybc/AlphaNet
A Local Frame-based Atomistic Potential
AlphaNet helps materials scientists and computational chemists accurately and efficiently simulate the behavior of atomistic systems, like crystals or molecules. It takes atomic structure data as input and predicts properties like energy, forces, and stress, enabling researchers to understand material properties and chemical reactions. This tool is for scientists working on simulations for material design, catalysis, or quantum mechanics.
119 stars.
Use this if you need highly accurate and computationally efficient simulations of atomic interactions, especially for complex multi-body systems in materials science or catalysis.
Not ideal if your primary need is for simpler, two-body atomic models or if you are not working with large-scale atomistic simulations requiring advanced potential functions.
Stars
119
Forks
27
Language
Python
License
GPL-3.0
Category
Last pushed
Mar 11, 2026
Commits (30d)
0
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