skills/claude-scientific-skills
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Add PyOpenms

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Timothy Kassis
2025-10-20 17:26:45 -07:00
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@@ -66,6 +66,9 @@ After installing the plugin, you can use the skill by just mentioning it. Additi
- **PyTDC** - Therapeutics Data Commons for drug discovery datasets and benchmarks
- **RDKit** - Cheminformatics toolkit for molecular I/O, descriptors, fingerprints, and SMARTS
**Proteomics & Mass Spectrometry:**
- **pyOpenMS** - Comprehensive mass spectrometry data analysis for proteomics and metabolomics (LC-MS/MS processing, peptide identification, feature detection, quantification, chemical calculations, and integration with search engines like Comet, Mascot, MSGF+)
**Machine Learning & Deep Learning:**
- **PyMC** - Bayesian statistical modeling and probabilistic programming
- **PyMOO** - Multi-objective optimization with evolutionary algorithms
@@ -157,7 +160,6 @@ After installing the plugin, you can use the skill by just mentioning it. Additi
### Proteomics & Mass Spectrometry
- **pyteomics** - Mass spectrometry data analysis
- **pyOpenMS** - OpenMS Python bindings for proteomics
- **matchms** - Processing and similarity matching of mass spectrometry data
- **MSstats** - Statistical analysis of quantitative proteomics