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Update SKILL.md files to add double quotation marks for all skills, ensuring clarity and consistency across all entries.

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Haoxuan "Orion" Li
2025-10-20 20:51:50 -07:00
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scientific-packages/datamol/SKILL.md
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---
name: datamol
description: Complete molecular cheminformatics toolkit using datamol (Pythonic RDKit wrapper). Use for SMILES parsing/conversion, molecular standardization/sanitization, descriptor calculation, fingerprint generation, similarity analysis, clustering, diversity selection, scaffold extraction, molecular fragmentation (BRICS/RECAP), 3D conformer generation, chemical reactions, molecular visualization, file I/O (SDF/CSV/Excel), cloud storage access, batch processing with parallelization, drug-likeness filtering, virtual screening, SAR analysis, and machine learning feature generation. Essential for drug discovery, medicinal chemistry, chemical informatics, molecular property prediction, compound library analysis, lead optimization, and any computational chemistry workflows involving molecular data processing and analysis.
description: "Complete molecular cheminformatics toolkit using datamol (Pythonic RDKit wrapper). Use for SMILES parsing/conversion, molecular standardization/sanitization, descriptor calculation, fingerprint generation, similarity analysis, clustering, diversity selection, scaffold extraction, molecular fragmentation (BRICS/RECAP), 3D conformer generation, chemical reactions, molecular visualization, file I/O (SDF/CSV/Excel), cloud storage access, batch processing with parallelization, drug-likeness filtering, virtual screening, SAR analysis, and machine learning feature generation. Essential for drug discovery, medicinal chemistry, chemical informatics, molecular property prediction, compound library analysis, lead optimization, and any computational chemistry workflows involving molecular data processing and analysis."
---
# Datamol Cheminformatics Skill