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mofstructure

A comprehensive Python toolkit for deconstructing metal-organic frameworks (MOFs) into building units, analysing porosity, removing unbound guest molecules, determining framework topology with RCSR net identification and generating cheminformatics descriptors for structural components.

Latest release
Apr 07, 2026
Releases
14
Known CVEs
0
First release
Jul 19, 2023
License
MIT
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Repository

Source

bafgreat/mofstructure
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Insights

Activity

Total releases
14
Last 12 months
3
Cadence
~2 months
Dependencies
9

Releases per month

last 12 months

Release mix

  • patch 13
14 releases
Dependencies

Depends on

0.1.8.6
  • pypi ase >=3.19.0
  • pypi jdk4py <22.0.0.0,>=21.0.8.1
  • pypi msgpack <2.0.0,>=1.1.0
  • pypi networkx >=2.6.3
  • pypi omsdetector-forked <2027.0.0,>=2026.1.6
  • pypi openbabel-wheel ==3.1.1.22
  • pypi pandas >=1.3.5
  • pypi pyzeo >=0.1.1
  • pypi rdkit >=2022.9.5

Used by

2
Releases
Version Released
0.1.8.6 patch
0.1.8.5 patch
0.1.8.4 patch
0.1.8.3 patch
0.1.8.2 patch
0.1.8.1 patch
0.1.8 patch
0.1.7 patch
0.1.6 patch
0.1.5 patch
0.1.3 patch
0.1.2 patch
0.1.1 patch
0.1.0 initial