MolecularGraph.jl
  • Home
    • Installation
    • Usage
  • MolecularGraph
    • Molecule
    • I/O
    • Structure drawing
    • Chemical properties
    • Preprocessing
    • Molecular mass/weight
    • Substructure match
    • MCS
    • Functional group detection
  • MolecularGraph.Graph
    • Interface
    • Graph models
    • Generator
    • Traversal
    • Topology
    • Operations
    • Clique
    • Isomorphism
  • MolecularGraph.Geometry
    • Cartesian
Version
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MolecularGraph.jl

README.md on GitHub

  • Molecular graph modeling and chemoinformatics toolkit
  • Fully implemented in Julia
  • MIT License

Installation

(@v1.4) pkg> add MolecularGraph

Usage

  • Jupyter notebook tutorials
Molecule »

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This document was generated with Documenter.jl on Saturday 30 January 2021. Using Julia version 1.5.3.