Descriptor Embedding and Clustering for Atomisitic-environment Framework

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An implementation of the presented framework in an article in J. Chem. Phys. 2023 (accepted DOI: 10.1063/5.0160369), Manuscript title: A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules.

Python Local Atomic... Atomistic Ma...

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December 23, 2022

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