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torchdrug

K-Dense-AI
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About

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.

Quick Install

Claude Code

Recommended
Plugin CommandRecommended
/plugin add https://github.com/K-Dense-AI/claude-scientific-skills
Git CloneAlternative
git clone https://github.com/K-Dense-AI/claude-scientific-skills.git ~/.claude/skills/torchdrug

Copy and paste this command in Claude Code to install this skill

GitHub Repository

K-Dense-AI/claude-scientific-skills
Path: scientific-packages/torchdrug
ai-scientistbioinformaticschemoinformaticsclaudeclaude-skillsclaudecode

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