mofstructure

Here are 3 public repositories matching this topic...

bafgreat / mofstructure

A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of building units

lcd topology oms smiles pld inchi asa metal-organic-frameworks inchikey sbu porosity mofstructure metal-organic-cage rcsr fair-mofs

Updated Jul 24, 2026
Arc

bafgreat / cage_isomer_builder

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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

bafgreat / fairmofapp

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Search engine for mofstructure

lcd pld sbus mofs porosity ligands mofstructure synthetic-conditions

Updated Oct 1, 2024
Python

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