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Metal Organic Cage Python Packages

Python packages with the GitHub topic metal-organic-cage. Sorted by monthly downloads, with stars and forks.
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

2K 26 0
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.

215 0 0
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