skills/claude-scientific-skills
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Updated skill descrtipotions to resolve possible conflicts in their use

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Vinayak Agarwal
2025-10-26 18:52:50 -07:00
parent 1f03feda5c
commit 26d4fde324
8 changed files with 8 additions and 8 deletions
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scientific-packages/datamol/SKILL.md
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---
name: datamol
description: "Pythonic RDKit wrapper for cheminformatics. SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing, for drug discovery workflows."
description: "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."
---
# Datamol Cheminformatics Skill