GitHub / bafgreat / mofstructure

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

JSON API: http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/bafgreat%2Fmofstructure
PURL: pkg:github/bafgreat/mofstructure

Stars: 19
Forks: 0
Open issues: 0

License: other
Language: Jupyter Notebook
Size: 88.9 MB
Dependencies parsed at: Pending

Created at: about 2 years ago
Updated at: about 2 months ago
Pushed at: 4 months ago
Last synced at: 11 days ago

Topics: asa, inchi, inchikey, lcd, mofstructure, oms, pld, porosity, sbu, smiles

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