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Python package to interact with high-dimensional representations of the chemical elements

Python 43 4 Updated Jun 16, 2025

Defect structure-searching employing chemically-guided bond distortions

Python 94 21 Updated Jun 21, 2025

A tool for in-depth processing of defect calculations (for semiconductor applications)

Python 1 Updated Jun 21, 2022

Automatic generation of crystal structure descriptions.

Python 121 30 Updated Jun 16, 2025
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