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bafgreat / mofstructure

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

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

Updated Aug 21, 2026
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