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datamol

sanand0
Updated 2 days ago
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About

Datamol is a Pythonic wrapper over RDKit that provides a simplified interface with sensible defaults for standard drug discovery tasks like molecule parsing, descriptors, and conformer generation. It returns native RDKit objects for compatibility while streamlining common workflows. Use it for rapid prototyping and standard operations, but switch to RDKit directly for advanced or custom parameter control.

Quick Install

Claude Code

Recommended
Primary
npx skills add sanand0/scientific-research -a claude-code
Plugin CommandAlternative
/plugin add https://github.com/sanand0/scientific-research
Git CloneAlternative
git clone https://github.com/sanand0/scientific-research.git ~/.claude/skills/datamol

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

GitHub Repository

sanand0/scientific-research
Path: .claude/skills/datamol
0

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