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DGL-LifeSci

DGL-LifeSci is a DGL/PyTorch toolkit providing graph learning components and examples for chemistry and biology.

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Public link：https://chemaiatlas.com/open-source/dgl-lifesci/

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Overview

It supplies molecular graph processing and model workflows for application development. This is a toolkit, not an autonomous agent.

Limitations

The README lists older DGL, PyTorch and RDKit requirements, and the observed branch commit is old. Current compatibility has not been tested.

Key Features

  • Molecular graph learning components
  • Chemistry and biology examples

Use Cases

  • Build property prediction workflows
  • Reproduce molecular graph examples

How to Use

Check the documented dependencies, install dgllife in a separate environment and run an official example. Record framework and RDKit versions.

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