Welcome to torch_pgn's documentation!

torch_pgn Proximity Graph Networks is a pytorch toolkit allowing for the modular application of multiple different encoder architectures to cheminformatic tasks centered around protein-ligand complexes.

Check out the Usage section for further information, including how to Installation the project.

Note

This project is under active development.

Contents

Contents:

• Overview
• Installation
  • Option 1: Installation using pip (cpu only)
  • Option 2: Installation using pip (cuda)
  • Option 3: Installing from source using environment.yml
• Usage

Indices and tables

• Index

• Module Index

• Search Page