/tools/CGRtools
CGRtools
cimm-kzn/CGRtools
51 stars23 forksPythonAdded February 5, 2026
summary
CGRtools is a Python library designed for the manipulation of molecules and reactions using the Condensed Graph of Reaction (CGR) approach. It supports various operations such as format conversion, molecule standardization, and subgraph searching.
description
CGRs, molecules and reactions manipulation
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