Claude Skills by HolobiomicsLab

Use when you have a feature table with assigned biomolecular class labels

Use when you have labeled training data (e.g., pqm_development with 500

Use when after training or evaluating a classification model (e.g., a

Use when after fitting and optimizing a MB-PLS model on training data,

Use when after running inference on test mass spectrometry spectra with

Use when after training multiple classifiers (traditional ML and deep

Use when you have a CSV file with predicted probabilities and true binary

Use when gNPS has stopped supplying ClassyFire ontology information for

Use when after a classifier (such as BitterPredict.m) has computed binary

Use when you have a CSV or Excel file containing chemical structure descriptors

Use when you have a GNPS DBResult file with InChIKey identifiers but

Use when after molecular structures have been standardized (e.g., via

Use when when you have vendor mass spectrometry raw files (e.g., .raw

Use when you have vendor raw mass spectrometry data files (e.g., .raw,

Use when after feature clustering and drift correction (Gravity and Blueshift

Use when you have a curated dataset of ≤10,000 molecular structures with

Use when after executing hierarchical clustering via Sample_Separation()

Use when after density-based clustering (e.g., DBSCAN) has been performed

Use when after mass-to-charge matching has produced a large table of

Use when after peak clustering has been performed on aligned GCIMS samples

Use when when you have generated multiple biclusters or clusterings from

Use when after peak clustering has been completed in pyINETA (i.

Use when when you have executed multiple clustering tools on the same

Use when you have applied two different clustering or dendrogram-flattening

Use when you have raw tandem MS metabolomics data (in mzML or MGF format)

Use when when you have C++ source code that needs to be wrapped as a

Use when you have LC-HRMS profile-mode chromatograms with ground-truth

Use when when you have mass-spectrometry data (m/z and intensity pairs

Use when you have LC-MS feature tables (with m/z and retention time columns)

Use when you have preprocessed MS/MS spectral data (normalized peak intensities

Use when you have preprocessed 1D NMR spectra (¹H and/or ¹³C) and need

Use when when you need to detect and classify peaks in LC-MS regions

Use when use when the workflow requires code_artifact_inspection.

Use when after a GitHub Actions CI workflow has executed static analysis

Use when you have a published research article describing a new FT-ICR

Use when you have differentially expressed isoform or exon FASTA sequences

Use when after loading and applying minimum non-missing-value thresholds

Use when after normalization of a metabolomic feature matrix but before

Use when you have loaded raw NMR or MS metabolomic abundance data into

'Use when you have per-feature CV values from quality control analysis

Use when analyzing complex GC-MS mixtures where two or more chemical

Use when raw GC-MS data (netCDF or mzML format) exhibits overlapping

Use when when you have two independent predictions of categorical outcomes

Use when you have NMR metabolite measurements from peripheral blood samples

Use when when you have uploaded a pre-analytical data table containing

Use when when you have preprocessed mass spectrometry imaging (MSI) ion

Use when when you have IM-MS lipidomics data spiked with U13C labeled

Use when you have ion mobility-mass spectrometry lipidomics data from

Use when you have raw or processed arrival-time data from a traveling-wave

Use when when you have acquired ion mobility–mass spectrometry data (drift