rdkit

Name: rdkit
Rating: 1.8 (1 reviews)
Author: davila7

36.3

"Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms."

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Installation for Agentic Skill

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Claude Code (CLI) Fast

skilz install davila7/claude-code-templates/rdkit

OpenCode (CLI) Fast

skilz install davila7/claude-code-templates/rdkit --agent opencode

OpenAI Codex (CLI) Native

skilz install davila7/claude-code-templates/rdkit --agent codex

Gemini CLI (Project) Project

skilz install davila7/claude-code-templates/rdkit --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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For Claude Desktop Easy

Download Agent Skill ZIP

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

Manual Installation

1. Clone the repository:

git clone https://github.com/davila7/claude-code-templates

2. Copy the agent skill directory:

cp -r claude-code-templates/cli-tool/components/skills/scientific/rdkit ~/.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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Agentic Skill Details

Owner: davila7 (GitHub)
Repository: claude-code-templates
Type: Non-Technical
Meta-Domain: general
Primary Domain: general
Sub-Domain: schema query
Market Score: 36.3

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