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/rdkit/SKILL.md
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---
name: rdkit
description: "Cheminformatics toolkit for molecules. Parse SMILES/SDF, calculate descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, for drug discovery."
description: "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."
---
# RDKit Cheminformatics Toolkit