wengroup/matten
MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
This tool helps materials scientists and engineers quickly predict complex tensorial properties, like the elasticity tensor, for various crystal structures. You provide the atomic structure of a crystal, and it outputs the specific tensorial property. This allows researchers to efficiently evaluate new materials without extensive experimental work or time-consuming simulations.
Use this if you need to rapidly obtain accurate predictions for tensorial properties of crystal materials based on their atomic structure.
Not ideal if you primarily work with amorphous materials or require predictions for non-tensorial properties.
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44
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8
Language
Python
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Category
Last pushed
Jan 28, 2026
Commits (30d)
0
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