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lucy-ngsanitize
AI-assisted sanitization of Bruker NMR datasets for blind CASE studies. Removes compound identity from metadata while preserving spectroscopic data for valid CASE evaluation.
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steinbeck AI Skills
GitHub ↗Browse published AI skills maintained by steinbeck. Compare skill descriptions and follow each source repository for setup instructions.
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lucy-ngcase
Full de novo structure elucidation - skip dereplication and solve the structure from NMR correlations. Use when dereplication returned no matches, the compound is known to be novel, or you want to solve the str...
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GitHub
lucy-ng
Computer-Assisted Structure Elucidation (CASE) for organic natural products using NMR spectroscopy. Use when the user asks to identify an unknown compound from NMR data, perform structure elucidation, analyze H...
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GitHub
lucy-ngdereplicate
Dereplication only - match observed 13C shifts against reference databases to identify known compounds. Use for quick checks if a compound is already known before deciding whether full CASE is needed.
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GitHub
nmrxiv
Search and download NMR spectroscopy datasets from nmrxiv.org. Use when the user asks to find NMR data, search for HSQC/HMBC/COSY/DEPT experiments, look up compounds by name or SMILES, download NMR datasets, or...
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