/tools/torchdrug
torchdrug
DeepGraphLearning/torchdrug
summary
TorchDrug is a PyTorch-based machine learning toolbox tailored for drug discovery, enabling users to predict molecular properties and work with graph-structured data. It provides a range of datasets and models for various tasks in molecular machine learning.
description
A powerful and flexible machine learning platform for drug discovery
topics
pytorchdeep-learninggraph-neural-networksdrug-discovery
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