torchdrug
Description
Graph-based drug discovery toolkit. Molecular property prediction (ADMET), protein modeling, knowledge graph reasoning, molecular generation, retrosynthesis, GNNs (GIN, GAT, SchNet), 40+ datasets, for PyTorch-based ML on molecules, proteins, and biomedical graphs.
How to Use
- Visit the GitHub repository to get the SKILL.md file
- Copy the file to your project root or .cursor/rules directory
- Restart your AI assistant or editor to apply the new skill
Tags
About torchdrug
torchdrug is an AI skill in the ml-data category, designed to help developers and users work more effectively with AI tools. Graph-based drug discovery toolkit. Molecular property prediction (ADMET), protein modeling, knowledge graph reasoning, molecular generation, retrosynthesis, GNNs (GIN, GAT, SchNet), 40+ datasets, for PyTorch-based ML on molecules, proteins, and biomedical graphs.
This skill has earned 2,800 stars on GitHub, reflecting strong community adoption and trust. It is compatible with claude.
Key Capabilities
Why Use torchdrug
Adding torchdrug to your AI workflow can significantly enhance your productivity in ml-data tasks. With pre-defined prompt templates and best practices, this skill helps AI assistants better understand your requirements and deliver more accurate responses.
Whether you use claude, you can easily integrate this skill into your existing development environment.
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