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 HSQC/HMBC/DEPT/COSY spectra, run dereplication against natural product databases (COCONUT, NMRShiftDB), generate LSD solver input, rank candidate structures by 13C prediction, or determine molecular structure from Bruker NMR data. Requires molecular formula and Bruker-format NMR spectra.
Installation
Follow the repository instructions for this skill and your agent. Review the files and dependencies before adding it to your workflow.
View source ↗GuidesSkill instructions
Features and purpose
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 HSQC/HMBC/DEPT/COSY spectra, run dereplication against natural product databases (COCONUT, NMRShiftDB), generate LSD solver input, rank candidate structures by 13C prediction, or determine molecular structure from Bruker NMR data. Requires molecular formula and Bruker-format NMR spectra.
Quick start
Follow the repository instructions for this skill and your agent. Review the files and dependencies before adding it to your workflow.
Guides ↗Examples
Read the usage examples in the source repository.
View source ↗Source history
- Indexed on
- 2026-01-20
- Index updated
- 2026-01-26
- Branch
- main
Index and sync dates describe this directory. View the source repository for code history.
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