Claude Skills by HolobiomicsLab

Use when your metabolomics dataset contains compound identifiers in mixed

Use when after constructing candidate feature pair alignments and retention-time

Use when you have raw lipidomic and metabolomic data files generated

Use when when you have raw mass spectrometry peak intensity data (rows

Use when after computing a Jacobian matrix from covariance data in MInfer,

Use when after chromatographic peak detection in LC-MS data, when you

Use when you have an annotated list of metabolite compounds (with associated

Use when after loading spatial metabolomics data (from CSV, imzML, or

Use when when you have processed authentic standards with LC-MS in positive

Use when you have an experimental MS/MS spectrum (from MassBank or your

Use when you have LC–MS All-ion fragmentation chromatograms processed

Use when after features have been grouped into empirical compounds (empCpds)

Use when when beginning an untargeted LC-MS annotation workflow, before

Use when you have a negative-mode or positive-mode LC-MS feature table

Use when validating mwTab files deposited to the Metabolomics Workbench

Use when when you have separate quantification data (abundance matrix),

Use when metabolite assay tables contain missing values (NAs) that exceed

Use when when you have a metabolite measurement matrix with missing values

Use when when you have SWATH-MS raw data (mzML or vendor format) containing

'Use when when you have a list of input metabolites (e.g., from differential

Use when you have normalized metabolite abundance data from MetaboAnalyst

Use when after cluster-based filtering of KEGG candidates has produced

Use when after downloading GNPS molecular networking results (from GNPS1

Use when after computing a Jacobian matrix from metabolomics covariance

Use when after running CyProduct with a query molecule (SMILES or SDF)

Use when working with untransformed metabolomics count data (e.g., c57_nos2KO_mouse_countDF)

Use when after peak detection and statistical association or classification

Use when you have a list of metabolite names or identifiers detected

Use when after metabolite detection and normalization from Metabolomics

Use when after peak detection has identified significant m/z and retention

Use when you have a 1D ¹H NMR spectrum (as chemical shift vs. intensity)

Use when you have a SummarizedExperiment object containing NMR or MS

Use when you have paired microbiome (genus-level 16S or functional profiles)

Use when after training a neural network or regression model to predict

Use when you have a small-molecule query (acetaminophen, drug candidate,

Use when when you have a small-molecule structure (SMILES, MOL, or SDF

Use when after training and cross-validating a regression model (e.g.,

Use when after generating metabolite-disease correlation data and protein

Use when after metabolite annotation has been completed (level-1 confidence

Use when after feature extraction (Asari) has produced a full feature

Use when after drift correction has been applied to a MetaboSet object,

Use when you have executed mzExacto() on a preprocessed GC-MS dataset

Use when after training an ensemble model (MLP, GNN, or ESP) on spectral

Use when when you have generated a set of candidate metabolites for a

Use when when you have a directed metabolic network (digraph) and want

Use when your input is a SummarizedExperiment containing multiple batches

Use when you have extracted metabolite records from two or more public

Use when you have defined one or more proton NMR spectral regions-of-interest

Use when after executing retention-order prediction on a test set of

Use when when you have a feature-by-sample metabolomic matrix (finalData)