MolecularGraph.jl

Graph-based molecule modeling toolkit for cheminformatics

This is an exact mirror of the MolecularGraph.jl project, hosted at https://github.com/mojaie/MolecularGraph.jl. SourceForge is not affiliated with MolecularGraph.jl.

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Last Update: 2025-10-19

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MolecularGraph.jl is a graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia.

Features

Considerations in molecular graph implementation
Built-in molecule properties and descriptors
2D structure image drawing and export to SVG
SDFile reader/writer (.sdf, .mol)
Properties and descriptors
Maximum common substructure (MCS)

Project Samples

Project Activity

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License

MIT License

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Additional Project Details

Programming Language

Julia

Related Categories

Julia Data Visualization Software

Registered

2023-11-22

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