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
Categories
Data VisualizationLicense
MIT LicenseFollow MolecularGraph.jl
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