lipelopesoliveira/pyCOFBuilder
A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach
This tool helps chemists and materials scientists design and build Covalent Organic Framework (COF) structures. You provide details about the building blocks, their arrangement (topology), and functional groups, and it generates the atomic structure in a standard file format like CIF or VASP. It's designed for researchers who need to efficiently create and represent complex COF models for computational studies.
No commits in the last 6 months. Available on PyPI.
Use this if you need to rapidly generate diverse Covalent Organic Framework (COF) structures by defining their building blocks, connectivity, and stacking patterns.
Not ideal if you are looking to synthesize COFs experimentally or need to simulate their properties without first generating their atomic structure.
Stars
63
Forks
6
Language
Python
License
MIT
Category
Last pushed
Oct 02, 2025
Commits (30d)
0
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