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Graphein 1.4.0
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Graphein 1.4.0

Getting Started

  • Installation
  • Graphein
  • Usage
  • License

Tutorials

  • Protein
    • Graphein - Residue Graph Tutorial
    • Graphein - Atom Graph Tutorial
    • Constructing Graphs from AlphaFold Protein Structure Database
    • Secondary Structure Graphs & Chain Graphs
    • Constructing Subgraphs in Graphein
    • Creating Protein Meshes in Graphein & 3D Visualisation
    • Protein Graph Analytics
    • Interactive Visualisation with Plotly
  • Molecules
    • Creating Molecular Graphs in Graphein
  • RNA Graphs
    • Graphein RNA Graph Construction Tutorial
  • PPI Networks
    • PPI Networks and Structural Interactomics
  • Gene Regulatory Networks
    • Gene Regulatory Network Tutorial

Machine Learning

  • Datasets
    • Graphein Protein Structure Dataloaders
    • PSCDB - Protein Structural Change Database
    • PSCDB - Baselines
    • PPISP - Protein Protein Interaction Structure Prediction

API Reference

  • graphein.protein
  • graphein.molecule
  • graphein.rna
  • graphein.ppi
  • graphein.grn
  • graphein.ml
  • graphein.utils

Contributing

  • Contributing
  • Contributor Covenant Code of Conduct
  • Contributors

Protein#

  • Graphein - Residue Graph Tutorial
    • Config
    • High-level API
      • Edge Functions
      • Features & Metadata
    • Low-Level API
      • Pre-Processing
      • Building the Graph
  • Graphein - Atom Graph Tutorial
    • Config
    • Config for Atom-level Graphs
    • High-level API
  • Constructing Graphs from AlphaFold Protein Structure Database
    • Downloading Structures
    • Constructing the Graph
    • Adding Edges
  • Secondary Structure Graphs & Chain Graphs
    • Secondary Structure Graphs
      • MultiGraph
    • Chain Graph
      • Multigraph
      • Weighted Graph
  • Constructing Subgraphs in Graphein
    • Subsetting with a list of nodes
    • Spatial Subgraphing
    • Subgraphing based on Residue Types
    • Subgraphing based on Chains
    • Subgraphing to Protein Surface
    • Subgraphing based on Secondary Structure
    • Subgraphing based on sequence positions
    • Subgraphs based on bond types
    • K-hop subgraphs
    • Subgraphing based on Atom Types
    • High-level function
  • Creating Protein Meshes in Graphein & 3D Visualisation
    • High-level API
      • Config
      • Building a mesh
    • Modifying Mesh Parameters
    • Using PyMol for 3D Visualisation
  • Protein Graph Analytics
    • Constructing a graph for analysis
    • Residue Composition
    • Graph Summary Statistics
    • Degree Distribution
    • Edge Type Distribution
    • Scatter Matrix
  • Interactive Visualisation with Plotly
    • Creating graphs
    • Distance Matrix and Contact Map
    • Distance Landscape
    • Plot 3D Structure
      • Interactive
      • Static Plots
    • Asteroid Plot
      • Parameters
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Graphein - Residue Graph Tutorial
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