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torchdrug

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.

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Install

armory install torchdrug --cli claude

writes the skill into.claude/skills/torchdrug/SKILL.mdListed as compatible

Configuration
# fetches the source and writes it to:
.claude/skills/torchdrug/SKILL.md

Needs the armory CLI · not on npm yet, build it from cli/ in the repository

What it is

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.

When to use it

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 install / invoke

# Copy the skill into your .claude/skills/ directory
curl -sL https://raw.githubusercontent.com/davila7/claude-code-templates/main/cli-tool/components/skills/scientific/torchdrug/SKILL.md -o .claude/skills/torchdrug/SKILL.md

Notes

Extracted from davila7/claude-code-templates, torchdrug category.