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RDKit · autonomous-ai/openharness

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Build molecules with RDKit — from SMILES or a scaffold, analogues and series (each with its parent), properties (MW, cLogP, TPSA, Lipinski, Veber, QED, alerts), similarity and substructure search…

autonomous-ai/openharness1.2k—~3kAutomated safety check: PassMITyesterday