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CoRE MOF database as a Python package

Project description

CoRE-MOF Python package

MIT CC-BY Build status

Easy access to the various versions of the CoRE MOF databases, as a Python package.

Two lines of code give you access to any structure from the databases:

import CoRE_MOF
mof = CoRE_MOF.get_structure("2019-ASR", "ZUZZEB_clean")

Datasets

CoRE MOF 2014

In the CoRE-MOF package, this dataset is named 2014.

CoRE MOF 2019

The 2019 database included in the package is the “public” part of the database, which is freely available. It is split (as in the original publication) into two distinct datasets: 2019-ASR (ASR = All Solvent Removed) and 2019-FSR (FSR = Free Solvent Removed).

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