iupac-to-smiles

Name: iupac-to-smiles
Availability: InStock
Author: InternScience

Official

Convert IUPAC names to SMILES, incl. polymers.

Education & Research #chemistry #smiles #rdkit #iupac #polymer #opsin #chemical-names

AuthorInternScience

Version1.0.0

Installs0

System Documentation

What problem does it solve?

Converts IUPAC chemical names to SMILES strings using the OPSIN API, enabling reliable structure generation for both small molecules and polymers.

Core Features & Use Cases

OPSIN-based conversion of IUPAC names to SMILES strings.
Polymer name parsing to identify linkers and monomers.
Batch conversions from lists or files, with optional RDKit-derived properties.

Quick Start

Provide an IUPAC name to SMILES conversion for a given name or a list.

Dependency Matrix

Required Modules

rdkitrequests

Components

scriptsreferences

💻 Claude Code Installation

Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.

Please help me install this Skill:
Name: iupac-to-smiles
Download link: https://github.com/InternScience/ChemClaw/archive/main.zip#iupac-to-smiles

Please download this .zip file, extract it, and install it in the .claude/skills/ directory.

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