crystallography-open-database

Here are 5 public repositories matching this topic...

seto77 / CSManager

CSManager is a Windows application for browsing, searching, and editing crystal structure databases: AMCSD is bundled, COD is downloaded on demand, CIF/AMC files can be imported and exported, and crystals can be sent to ReciPro and PDIndexer.

windows csharp dotnet winforms crystallography cif crystal-structure materials-science x-ray-diffraction space-group mineralogy crystallography-open-database crystal-structure-database amcsd

Updated Sep 19, 2026
C#

radi0sus / cshm-cc

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Computes CShM (shape measures) and other geometric indices from crystallographic information files (CIFs), which may contain single or multiple entries, or from COD (Crystallography Open Database) entries.

cod chemistry coordination crystallography cif tau xyz o xyz-files coordination-chemistry tau4 tau5 geometry-index octahedricity cshm continuous-shape-measures crystallography-open-database

Updated May 31, 2026
Python

ABKuznetsov / XRD_Analysis_Toolkit

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Open-source XRD Phase Finder for powder diffraction phase identification using open databases, local CIF libraries, Match/Gain ranking and portable projects.

powder-diffraction xrd phase-identification crystallography-open-database xrd-analysis xrd-phase-finder

Updated Sep 15, 2026
Python

markolivaic / anneal

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Loads Crystallography Open Database structures, filters them for CHGNet, and streams live relaxations after substitution, vacancy or strain edits. 27.8% of COD qualifies.