MolecularGraph.jl
Molecule Modeling Toolkit
A Julia-based toolkit for graph-based molecule modeling and chemoinformatics analysis
Graph-based molecule modeling toolkit for cheminformatics
202 stars
11 watching
29 forks
Language: Julia
last commit: almost 2 years agoLinked from 1 awesome list
cheminformaticschemistrygraphjuliajulia-languagemcsmolecular-modelingmoleculetoolkit
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