moleculargraph jl

We have hosted the application moleculargraph jl in order to run this application in our online workstations with Wine or directly.

Quick description about moleculargraph jl:

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)

Programming Language: Julia.
Categories: