Contents Menu Expand Light mode Dark mode Auto light/dark mode
Graphein 1.4.0
Logo
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

Datasets#

Summaries#

  • Graphein Protein Structure Dataloaders
    • PyTorch Geometric Datasets
  • PSCDB - Protein Structural Change Database
    • Reference
  • PSCDB - Baselines
    • Load dataset
    • Transformation from Raw Structure to ML-ready Datasets Construction with Graphein
    • Convert Nx graphs to PyTorch Geometric
    • Model Configuration
    • Construct DataLoaders
    • Define Model
    • Train!
  • PPISP - Protein Protein Interaction Structure Prediction
    • Reference
Next
Graphein Protein Structure Dataloaders
Previous
Gene Regulatory Network Tutorial
Copyright © 2022, Arian Jamasb
Made with Sphinx and @pradyunsg's Furo
Contents
  • Datasets
    • Summaries