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.
Packaged view
This page reorganizes the original catalog entry around fit, installability, and workflow context first. The original raw source lives below.
Install command
npx @skill-hub/cli install k-dense-ai-claude-scientific-skills-torchdrug
Repository
Skill path: scientific-skills/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.
Open repositoryBest for
Primary workflow: Research & Ops.
Technical facets: Full Stack.
Target audience: Development teams looking for install-ready agent workflows..
License: Unknown.
Original source
Catalog source: SkillHub Club.
Repository owner: K-Dense-AI.
This is still a mirrored public skill entry. Review the repository before installing into production workflows.
What it helps with
- Install torchdrug into Claude Code, Codex CLI, Gemini CLI, or OpenCode workflows
- Review https://github.com/K-Dense-AI/claude-scientific-skills before adding torchdrug to shared team environments
- Use torchdrug for development workflows
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