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.mdskills/pubchem/SKILL.md
GitHubPubChem
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.