smiles-to-iupac
OfficialTurn SMILES into IUPAC names across sources.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Converts SMILES strings into standardized IUPAC names by coordinating multiple naming sources, reducing manual effort and human error in chemical naming.
Core Features & Use Cases
- Multi-source naming: PubChem, NCI/CADD, STOUT, and RDKit-InChI are queried to provide accurate IUPAC names or InChI when needed.
- Intelligent fallbacks: automatically degrades to alternative methods when the primary source is unavailable.
- Property enrichment: computes basic molecular properties via RDKit when available.
- Use case: labeling large SMILES libraries with correct IUPAC names for cataloging, reporting, or data integration.
Quick Start
Provide a SMILES string and request its IUPAC name to get an immediate result.
Dependency Matrix
Required Modules
rdkitrequestsstout
Components
scriptsreferences
💻 Claude Code Installation
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Please help me install this Skill: Name: smiles-to-iupac Download link: https://github.com/InternScience/ChemClaw/archive/main.zip#smiles-to-iupac Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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