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Rdkit Chemdraw Cdxml

jaechang-hits

Read, write, and edit ChemDraw CDX/CDXML files with RDKit's rdkit.Chem.rdChemDraw plus direct XML editing, always paired with a rendered PNG. Parse molecules and reactions from .cdxml/.cdx, write structures with good 2D depiction, and hand-build or modify the parts RDKit cannot write: reaction arrows, plus signs, schemes/steps, and text/labels.

安装

npx skills add jaechang-hits/SciAgent-Skills --skill rdkit-chemdraw-cdxml