pubchem

Use when an agent needs PubChem PUG REST lookups for names, CIDs, formulas, synonyms, properties, or public analog search without depending on ChemQA runtime state.

SKILL.md

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PubChem

Overview

Resolve compound identities and basic compound metadata through PubChem PUG REST. Each script is provider-scoped and writes a stable JSON result file in the requested output directory.

When to Use

Use this skill when:

  • a prompt contains a common name, synonym, formula, or PubChem CID
  • an agent needs PubChem synonyms or compound properties
  • a public similarity lookup against PubChem analogs is useful
  • a compact provider-only compound profile is enough for the next step

Do not use this skill for structural validation. After PubChem returns a structure, hand it to the rdkit skill for canonicalization or validation.

Harbor Trial execution

Harbor copies this allowlisted skill to $HOME/.openclaw/skills/pubchem inside the disposable Trial container. Run from /workspace with the direct script path; the retired benchmark runner and host workspace are not available.

python "$HOME/.openclaw/skills/pubchem/scripts/name_to_cid.py" \
  --request-json /workspace/requests/pubchem.json \
  --output-dir /workspace/outputs/pubchem \
  --json

Read references/contracts.md for request fields, output structure, timeout behavior, and per-script request examples.