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BytesAgain β€Ί Skills β€Ί PharmaClaw Chemistry Query
πŸ¦€ ClawHub

PharmaClaw Chemistry Query

by @cheminempharmaclaw

Chemistry agent skill for PubChem API queries (compound info/properties, structures/SMILES/images, synthesis routes/references) + RDKit cheminformatics (SMIL...

Versionv2.0.1
#database#research#legal
πŸ’‘ Examples

# PubChem compound info
exec python scripts/query_pubchem.py --compound "aspirin" --type info
Molecular properties from SMILES

exec python scripts/rdkit_mol.py --smiles "CC(=O)Oc1ccccc1C(=O)O" --action props
Retrosynthesis

exec python scripts/rdkit_mol.py --target "CC(=O)Oc1ccccc1C(=O)O" --action retro --depth 2
Full chain (name β†’ props + draw + retro)

exec python scripts/chain_entry.py --input-json '{"name": "caffeine", "context": "user"}'

View on ClawHub
TERMINAL
clawhub install pcl-chemistry-query

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