Claude Skills by HolobiomicsLab

Use when after training a decision tree classifier on ChemEcho sparse

Use when after generating a Chemical Feature Tree artifact (Phylogeny[Rooted])

Use when you have a connected subnetwork of LC-MS features that matched

Use when you have a shallow decision tree trained on ChemEcho feature

Use when after applying one or more mpactr filters (filter_mispicked_ions,

Use when when you have harmonized metabolomics data with fold-change

Use when you have a trained NeatMS neural network model (.h5 format)

Use when imputing left-censored missing values in metabolomics data where

Use when you have (1) a directed edge list representing a global network

Use when when you have a precomputed similarity matrix of mass spectra

Use when you have TSV or CSV files containing structure-organism pairs

Use when after completing a BiG-SLiCE v2 clustering analysis on an input

Use when you have raw TWIM-MS data with arrival times (detector timestamps)

Use when you have raw or processed arrival-time data from a TWIM-MS instrument

Use when you have raw or processed TWIM-MS experimental data (arrival

'Use when you have TWIM-MS data (arrival time and m/z values) from a

Use when you have raw GCxGC-MS chromatogram data in NetCDF format from

Use when when you have a preprocessed sample chromatogram (smoothed and

Use when you have raw GC–MS or LC–MS data represented as a two-dimensional

Use when you have GC–MS or LC–MS data represented as a two-dimensional

Use when immediately after acquiring raw GCxGC-MS data in NetCDF format

Use when when you need to verify that a wrapper package (e.g., rawrr)

Use when you have an untargeted metabolomics dataset with partial metabolite

Use when when converting intermediate JSON records to output dictionaries

Use when when you need to verify that reported Type I error rates from

Use when implementing data replacement methods (such as `[<-`, `$<-`,

Use when you have measured CCS values from (LC-)IM-MS samples spiked

Use when you have IM-MS measurements of samples spiked with U13C-labeled

Use when when you have a Ubuntu-based software package (e.g., MetumpX)

Use when you have peak-picked UHPLC-HRMS/MS data (from Q-Exactive orbitrap,

Use when when you have access to a modular object-oriented codebase and

Use when you have aligned feature tables from LC–MS/MS, corresponding

Use when when you have multiple independently trained models (e.g., ROASMI_1

Use when when you have a trained neural network (e.g., a Siamese model

'Use when you have trained a DNN retention time predictor and need to

Use when your analysis pipeline must ingest mass-spectrometry data from

Use when you have CE-MS raw data in OnDiskMSnExp format with both positive

Use when when you have parallel mass spectra and molecular structure

Use when you have a GC-MS results table with a Match.Factor column (representing

Use when when refactoring or adding workflow branching logic that routes

Use when when implementing or modifying metabolomics feature detection

Use when after implementing a custom Filter subclass (e.g., MetabolomicsFilter,

Use when you have implemented a custom Filter subclass (e.g., Tanimoto

Use when when implementing a new ComputeConverter subclass for MSMetaEnhancer

Use when building or extending a data extraction and conversion system

Use when when implementing a new data structure class that extends standard

Use when when implementing or extending file format parsers in a spectral

Use when you have extended a neural network model class (e.

Use when when implementing new scoring components (inchikey score, neighbourhood

Use when after implementing a custom Filter subclass (e.g., Tanimoto