graphein and dgl
Graphein is a specialized protein structure featurization tool that can output graph representations compatible with DGL, making them complements rather than competitors—you'd use Graphein to prepare biological data and DGL to train neural networks on the resulting graphs.
About graphein
a-r-j/graphein
Protein Graph Library
About dgl
dmlc/dgl
Python package built to ease deep learning on graph, on top of existing DL frameworks.
Provides GPU-accelerated message passing primitives and distributed training across multiple GPUs/machines for billion-scale graphs, with framework-agnostic design supporting PyTorch, TensorFlow, and MXNet backends. Includes pre-built GNN layers, comprehensive model zoo, and sampling-based stochastic training for efficient large-graph learning. Optimized communication and memory management reduce distributed training overhead while maintaining compatibility with standard deep learning ecosystems.
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