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deepchem

Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.

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Install

armory install deepchem --cli claude

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

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

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

What it is

Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.

When to use it

Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks, pretrained models, featurization, for drug discovery ML.

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/deepchem/SKILL.md -o .claude/skills/deepchem/SKILL.md

Notes

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