claude-skills

Cheminformatics toolkit for fine-grained molecular control. SMILES/SDF parsing, descriptors (MW, LogP, TPSA), fingerprints, substructure search, 2D/3D generation, similarity, reactions. For standard workflows with simpler interface, use datamol (wrapper around RDKit). Use rdkit for advanced control, custom sanitization, specialized algorithms.

Write, format, and edit organic chemistry experimental procedures and compound characterization data to ACS journal standards. Use this skill whenever the user asks to write, draft, correct, format, or polish an experimental section, a supporting information entry, or compound characterization data—including NMR, IR, HRMS, optical rotation, mp/bp, or yield reporting. Also trigger for requests to generate a general procedure template, check characterization data for errors, or prepare a compound data block for JMC, JACS, OL, or similar ACS-family journals. Trigger even when the request is phrased informally, e.g. "write up compound 3f," "format my NMR data," or "check my experimental." Supports two output modes: manuscript (compact journal layout) and thesis (spaced, reader-friendly layout). Works interactively, never alters scientific data without explicit user permission, and flags ambiguities for confirmation before making data-level changes.

Curate, rename, and structure a set of source documents for a NotebookLM project so that retrieval is precise, claims are grounded, and the evidence base is auditable. Use this skill whenever the user wants to "set up a NotebookLM project," "build a notebook on X," "rename these PDFs for NotebookLM," "audit my notebook sources," "generate a source map," or "structure a notebook around manuscript section / grant aim / expert report / synthetic challenge / teaching unit." Also trigger on informal phrasings: "I have a folder of papers on X — get me ready to upload to NotebookLM," "this notebook is a mess, fix the filenames," "what should I call these," "make a README for this notebook." Trigger when the user points to a Drive folder, a Dropbox folder, a DEVONthink group, or a local directory and asks for the contents to be staged for NotebookLM. If the request involves preparing source material for any retrieval-augmented system — NotebookLM, Claude projects, custom RAG — use this skill.

Review the quality, style, and consistency of ChemDraw figures and reaction schemes embedded in .docx, .pptx, and .pdf documents. Use whenever the user wants to "review my figures," "check this scheme," "audit the schemes in this manuscript / SI / talk," "is this on-style," "does this look right for JACS / JOC / Org. Lett. / JMC," or hands over a draft and asks if the chemistry artwork is publication-ready. Trigger on informal phrasings: "look at the schemes in chapter 3," "check my deck before group meeting," "the figures in section 2 feel off," "compare these against my template." Also trigger when the user points at a manuscript or proposal and wants figure-only feedback. Produces a per-figure issues table with severity, a checklist pass, narrative notes, and a tiered readiness rating (Ready / Minor revisions / Major revisions / Not ready). Reviews rendered output only — never edits ChemDraw. Do NOT use for manuscript prose (use chemistry-manuscript-writing) or for drawing molecules from scratch.