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pyopenms

Complete mass spectrometry analysis platform. Use for proteomics workflows feature detection, peptide identification, protein quantification, and complex LC-MS/MS pipelines. Supports extensive file formats and algorithms. Best for proteomics, comprehensive MS data processing. For simple spectral comparison and metabolite ID use matchms.

81

1.37x
Quality

78%

Does it follow best practices?

Impact

77%

1.37x

Average score across 3 eval scenarios

SecuritybySnyk

Passed

No known issues

Optimize this skill with Tessl

npx tessl skill review --optimize ./scientific-skills/pyopenms/SKILL.md
SKILL.md
Quality
Evals
Security

Evaluation results

76%

19%

LC-MS Data Preprocessing Service Script

Signal preprocessing pipeline

Criteria
Without context
With context

pyopenms alias

0%

100%

Parameter pattern

100%

100%

Gaussian smoothing

100%

100%

High-res peak picker

100%

100%

Normalizer method param

0%

100%

Intensity filtering

0%

100%

Profile/centroid check

0%

0%

Original data preserved

100%

0%

MzML output saved

100%

100%

70%

20%

Multi-Sample LC-MS Feature Quantification Pipeline

Feature detection and cross-sample linking

Criteria
Without context
With context

pyopenms alias

0%

100%

FeatureFinder centroided

0%

0%

setPrimaryMSRunPath

100%

100%

Pose clustering aligner

100%

100%

QT grouper

100%

100%

ppm MZ unit

0%

100%

ConsensusXML output

100%

100%

DataFrame export

0%

0%

87%

25%

Automated Proteomics Identification Post-Processing

Peptide identification FDR and protein inference

Criteria
Without context
With context

pyopenms alias

0%

100%

idXML load pattern

33%

58%

FDR object apply

100%

100%

q-value threshold

0%

46%

BasicProteinInference

53%

100%

IDMapper annotate

76%

100%

idXML store pattern

100%

100%

DecoyGenerator usage

100%

100%

Repository
K-Dense-AI/claude-scientific-skills
Evaluated
Agent
Claude Code
Model
Claude Sonnet 4.6

Table of Contents

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