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update tutorial links
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mojaie committed Jul 21, 2024
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Expand Up @@ -29,30 +29,30 @@ How to use
To run codes in your environment, see `Edit or run this notebook` instruction shown in the top-right of the tutorial pages below.

- [Getting started](https://mojaie.github.io/MolecularGraph.jl_notebook/getting_started.html)
- [Molecular graph basics](https://mojaie.github.io/MolecularGraph.jl_notebook/molecular_graph_basics.jl.html)
- [Molecular graph basics](https://mojaie.github.io/MolecularGraph.jl_notebook/molecular_graph_basics.html)
- Scope of MolecularGraph.jl
- Considerations in molecular graph implementation
- Basic operations provided by Graphs.jl interface
- MolGraph type and atom/bond properties
- [Properties and descriptors](https://mojaie.github.io/MolecularGraph.jl_notebook/properties_and_descriptors.jl.html)
- [Properties and descriptors](https://mojaie.github.io/MolecularGraph.jl_notebook/properties_and_descriptors.html)
- Built-in molecule properties and descriptors
- Lipinski's Rule of five (RO5)
- Molecular formula
- Atom and bond properties
- Graph topology (ring and fused ring)
- Auto-update mechanism of properties
- [Preprocessing](https://mojaie.github.io/MolecularGraph.jl_notebook/preprocessing.jl.html)
- [Preprocessing](https://mojaie.github.io/MolecularGraph.jl_notebook/preprocessing.html)
- Remove hydrogen vertices
- Extract molecules of interest
- Standardize charges
- Dealing with resonance structure
- Customize property updater
- [Mass and isotopes](https://mojaie.github.io/MolecularGraph.jl_notebook/mass_and_isotopes.jl.html)
- [Mass and isotopes](https://mojaie.github.io/MolecularGraph.jl_notebook/mass_and_isotopes.html)
- Molecular weight and exact mass
- Uncertainty
- Isotopic composition
- Simulate mass spectrum
- [Substructure and query](https://mojaie.github.io/MolecularGraph.jl_notebook/substructure_and_query.jl.html)
- [Substructure and query](https://mojaie.github.io/MolecularGraph.jl_notebook/substructure_and_query.html)
- Substructure match
- InChI and InChIKey
- SMARTS query
Expand All @@ -65,13 +65,14 @@ To run codes in your environment, see `Edit or run this notebook` instruction sh
- Connected or disconnected MCS
- Working with larger molecules
- Topological constraint (tdMCS)
- [Drawing molecule](https://mojaie.github.io/MolecularGraph.jl_notebook/drawing_molecule.jl.html)
- Settings of 2D structure images
- Change image size
- Layout for web and Pluto notebook
- Regenerate 2D coordinates
- [Drawing molecule](https://mojaie.github.io/MolecularGraph.jl_notebook/drawing_molecule.html)
- 2D structure images
- Display and export in SVG format
- Display and export in PNG format
- Layout for Pluto notebook
- Regenerate coordinates
- 3D molecule rendering using Makie.jl
- [Stereochemistry](https://mojaie.github.io/MolecularGraph.jl_notebook/stereochemistry.jl.html)
- [Stereochemistry](https://mojaie.github.io/MolecularGraph.jl_notebook/stereochemistry.html)
- Stereochemistry as a molecular graph property
- Stereospecific implicit hydrogens

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