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CIF Clustering Analysis Tool (Bala)

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Mar 20, 2026
9:42

A unified Python script for performing structural analysis and hierarchical clustering on CIF (Crystallographic Information File) files. This tool extracts d/d_min (normalized interatomic distances) features from atomic structures and clusters similar structures together. Github: https://github.com/balaranjan/structure_type_clustering

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CIF Clustering Analysis Tool (Bala) | NatokHD