Skillzwave

datamol

13,835 stars 1,200 forks Updated Dec 26, 2025
66.7

"Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly."

Commands Marketplace
#Molecule#Returns#molecules#SMILES#molecular
Also in: github python database

Third-Party Skill: Review the code before installing. Skills execute in your AI assistant's environment and can access your files. Learn more about security

Installation

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skilz install davila7_claude-code-templates/datamol
skilz install davila7_claude-code-templates/datamol --agent opencode
skilz install davila7_claude-code-templates/datamol --agent codex
skilz install davila7_claude-code-templates/datamol --agent gemini

First time? Install Skilz: pip install skilz

Works with 14 AI coding assistants

Cursor, Aider, Copilot, Windsurf, Qwen, Kimi, and more...

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Download Skill ZIP

Extract and copy to ~/.claude/skills/ then restart Claude Desktop

1. Clone the repository:
git clone https://github.com/davila7/claude-code-templates
2. Copy the skill directory:
cp -r claude-code-templates/cli-tool/components/skills/scientific/datamol ~/.claude/skills/
View on GitHub

Need detailed installation help? Check our platform-specific guides:

Claude Desktop Guide Claude Code Guide Troubleshooting

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datamol

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Details

Owner
davila7
Repository
claude-code-templates
Stars
13,835
Forks
1,200
Type
Technical
Meta-Domain
data ai
Primary Domain
data analysis
Sub-Domain
analysis drug rdkit
Skill Size
51.0 KB
Files
7
Quality Score
66.7

AI-Detected Topics

Extracted using NLP analysis

Molecule Returns molecules SMILES molecular

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