DGL-LifeSci: Bringing Graph Neural Networks to Chemistry and Biology¶
DGL-LifeSci is a python package for applying graph neural networks to various tasks in chemistry and biology, on top of PyTorch and DGL. It provides:
Various utilities for data processing, training and evaluation.
Efficient and flexible model implementations.
Pre-trained models for use without training from scratch.
We cover various applications in our examples, including:
DGL-LifeSci is free software; you can redistribute it and/or modify it under the terms of the Apache License 2.0. We welcome contributions. Join us on GitHub.