search-species

Retrieve chemical names, formulas, masses, SMILES, and 2D images from OPSIN, PubChem, or Wikidata.

124|25|Updated Feb 20, 2026
One-click install
npx skills add https://github.com/jinzhezenggroup/computational-chemistry-agent-skills --skill search-species
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: search-species
Source: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/main/tools/search-species
Command: npx skills add https://github.com/jinzhezenggroup/computational-chemistry-agent-skills --skill search-species

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Retrieve core chemical data (name, formula, mass, SMILES, and 2D image) for user-provided chemical identifiers. You must actively retrieve the data rather than hallucinate or generate structures for requests.

Core Features & Use Cases

  • Backend-bridged searches across OPSIN, PubChem, and Wikidata to obtain authoritative chemical identities.
  • Supports IUPAC names, common names, multilingual names, and identifiers to locate molecules and return canonical data (name, formula, mass, SMILES, and 2D render).
  • Use case: a researcher looks up "Aspirin" in multiple languages to get consistent identity and draw the structure for report figures.

Quick Start

Ask for a chemical by name or multilingual term and receive its canonical identity data from OPSIN, PubChem, or Wikidata.

Frequently Asked Questions about search-species

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I retrieve chemical data like SMILES and molecular formula from a name?

To retrieve chemical data like SMILES and formula, you can query using IUPAC names, common names, or multilingual terms. This skill bridges OPSIN, PubChem, and Wikidata backends to return canonical identity data and prevent structure hallucination.

Can I look up chemical structures using multilingual names?

Yes, you can look up chemical structures using multilingual names. The backend-bridged search supports multilingual terms and identifiers to locate molecules across OPSIN, PubChem, and Wikidata, returning consistent canonical identities and 2D image renders.

What is the best way to get canonical mass and 2D images for chemical identifiers?

The best way to get canonical mass and 2D images is to query chemical identifiers through this skill. It fetches authoritative core chemical data from multiple search engines, ensuring you receive accurate mass, formula, and 2D structural renders.

Does this tool query PubChem and OPSIN directly for chemical identities?

Yes, this tool queries PubChem and OPSIN directly, alongside Wikidata. It performs backend-bridged searches across these engines to obtain authoritative chemical identities, actively retrieving data rather than generating structures internally.

Why should I use a skill to fetch chemical data instead of generating structures myself?

You should use a skill to fetch chemical data to avoid hallucinating or incorrectly generating structures yourself. It ensures results are obtained from authoritative backends like OPSIN, PubChem, and Wikidata, providing reliable canonical data.