Skillzwave

datamol

84 stars 11 forks Updated Dec 4, 2025
47.7

"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."

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

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Installation

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skilz install Microck_ordinary-claude-skills/datamol
skilz install Microck_ordinary-claude-skills/datamol --agent opencode
skilz install Microck_ordinary-claude-skills/datamol --agent codex
skilz install Microck_ordinary-claude-skills/datamol --agent gemini

First time? Install Skilz: pip install skilz

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

1. Clone the repository:
git clone https://github.com/Microck/ordinary-claude-skills
2. Copy the skill directory:
cp -r ordinary-claude-skills/skills_all/claude-scientific-skills/scientific-skills/datamol ~/.claude/skills/
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Related Skills

datamol

"Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization...

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#print#split#Molecular Generation
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"Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery: SMILES parsing, standardization...

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TECH data analysis › analysis drug rdkit
#Refer#molecular#clustering
+github +markdown

Details

Owner
Microck
Repository
ordinary-claude-skills
Stars
84
Forks
11
Type
Technical
Meta-Domain
data ai
Primary Domain
data analysis
Sub-Domain
analysis drug rdkit
Skill Size
51.0 KB
Files
7
Quality Score
47.7

AI-Detected Topics

Extracted using NLP analysis

Molecule Returns molecules SMILES molecular

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