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

MolecularGraph.jl Screenshot 1

Project Activity

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Categories

Data Visualization

License

MIT License

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MolecularGraph.jl Web Site

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Additional Project Details

Programming Language

Julia

Related Categories

Julia Data Visualization Software

Registered

2023-11-22
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