torchdrug

PyTorch-native graph neural networks for molecules and proteins. Use when building custom GNN architectures for drug discovery, protein modeling, or knowledge graph reasoning. Best for custom model development, protein property prediction, retrosynthesis. For pre-trained models and diverse featurizers use deepchem; for benchmark datasets use pytdc.

Key Features

• Comprehensive skill evaluation and performance tracking
• Community-driven ratings and reviews
• Easy integration with Claude Code
• Regular updates and maintenance

Quick Start

TopRank Skills install K-Dense-AI/torchdrug