molclaw-compound-retrieve
OfficialFetch SMILES for compounds from PubChem
Education & Research#cheminformatics#batch-processing#pubchem#smiles#compound-retrieval#molecular-data
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Rapidly obtain canonical SMILES strings for chemical compounds given human-readable names, eliminating manual searches and accelerating dataset curation or downstream cheminformatics tasks.
Core Features & Use Cases
- Batch name-to-SMILES retrieval: Accepts lists of compound names and returns corresponding SMILES mappings.
- Status-aware responses: Returns success/partial_success/error statuses and messages to surface missing or ambiguous results.
- Use Case: Populate a compound dataset for virtual screening by converting supplier or literature compound names into machine-readable SMILES for property calculation and model input.
Quick Start
Ask the skill to retrieve SMILES for a list of compound names, for example, retrieve SMILES for aspirin and caffeine.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 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: molclaw-compound-retrieve Download link: https://github.com/InternScience/MolClaw/archive/main.zip#molclaw-compound-retrieve Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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