/tools/pyCOFBuilder
pyCOFBuilder
lipelopesoliveira/pyCOFBuilder
summary
pyCOFBuilder is a Python package designed for the automated assembly of Covalent Organic Framework structures using a reticular approach. It allows users to generate a variety of COF structures based on specified building blocks and functional groups, facilitating high-throughput molecular design.
description
A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on the reticular approach
topics
computational-chemistrymachine-learningcovalent-organic-frameworksreticular-chemistrymaterials-designmaterials-informaticsmaterials-science
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