isomer-enumeration

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bafgreat / cage_isomer_builder

A Python package for building metal-organic cages from nodes and linkers, identifying and functionalising available linker sites, and enumerating symmetry-unique cage and MOF isomers.

supramolecular-chemistry mofstructure metal-organic-cage cage-isomer-enumeration mof-isomerism cage-topology isomer-enumeration

Updated Jul 23, 2026
Python

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