Chemistry Query
Chemistry agent skill for PubChem API queries (compound info/properties, structures/SMILES/images, synthesis routes/references) + RDKit cheminformatics (SMIL...
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SMILES-to-Docking Virtual Screening
Complete virtual screening workflow converting SMILES to 3D SDF, preparing ligands/receptors to PDBQT, running batch AutoDock Vina docking, ranking affinitie...
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Install skill "SMILES-to-Docking Virtual Screening" with this command: npx skills add smiles-to-docking
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