/tools/MolecularGraph.jl
MolecularGraph.jl
mojaie/MolecularGraph.jl
217 stars26 forksJuliaAdded February 4, 2026
summary
MolecularGraph.jl is a graph-based toolkit designed for cheminformatics and molecular modeling. It offers functionalities for analyzing molecular properties, performing substructure queries, and visualizing molecular graphs, making it a valuable resource for computational chemistry applications.
description
Graph-based molecule modeling toolkit for cheminformatics
topics
cheminformaticsmolecular-modelingchemistrytoolkitjuliajulia-languagemoleculemcsgraph
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