/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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