Pytorch Implementation of kGCN

Why Pytorch version?

• Based on Pytorch geometric
• More user-friendly
• More test
• More developer-friendly
• More new features of latest python.

Requirements

• Python3 (>= 3.6)
• Pytorch (>= 1.0)
• Rdkit (>= 2020)

Installation

Neural Network Architecture Search for multi-modal and multi-task network

You need Rust compiler to install external libraries. Those libraries are under construction.

• https://github.com/0h-n0/frontier_graph
• https://github.com/0h-n0/thdbonas

Features

• Support MLflow tracking and project.

How to use

from console

from MLflow

License

This edition of kGCN is for evaluation, learning, and non-profit academic research purposes only, and a license is needed for any other uses. Please send requests on license or questions to [email protected].