Claude Skills by HolobiomicsLab

Use when you have loaded mzPeak spectrum or chromatogram metadata and

Use when when you have Parquet-encoded tabular data (e.

Use when when reproducing a prior software release (especially one generated

Use when processing raw IM-MS data (UIMF or Agilent MassHunter .d format)

Use when you have built multiple Docker image variants (e.g., cli, dev,

Use when after generating a feature table via mzrtsim() containing simulated

Use when after calling buildExperiment on metabolomics data to construct

Use when when you need to validate that a .NET assembly (such as ThermoFisher.CommonCore.RawFileReader)

Use when you have identified co-occurring metabolite–genomic variant

Use when after generating metabolite-disease correlations and protein

Use when you have a batch of mass spectra records in .msp format that

Use when building a metadata enrichment system that must support multiple

Use when you have mass spectrum records in .msp format lacking computed

Use when your workflow fetches data from multiple external web services

Use when you have a plugin-based converter architecture (e.g., web services

Use when when you have a Streamlit-based scientific application (e.g.

Use when you have a trained GNN model for molecular property prediction

Use when you have canonicalized SMILES strings from a chemical database

Use when when you have pretrained encoder-produced embeddings from MS/MS

Use when you have imaging mass spectrometry (IMS) datasets with peak

Use when after instantiating a transformer encoder module for mass spectrometry

Use when when you have computed true positive rate (TPR) and false positive

Use when when working with imaging mass spectrometry (IMS) datasets where

Use when you need to produce final distributable executable artifacts

Use when when you have raw or processed direct-infusion MS (DI-MS) or

Use when you have high-resolution tandem mass spectrometry (MS2) data

Use when you have ion mobility-mass spectrometry data (raw drift times,

Use when you have a two-dimensional GC–MS or LC–MS dataset (m/z vs retention

Use when when you have a molecular geometry (XYZ format) and need to

Use when after AutoTuner has completed EICparams extraction and parameter

Use when when designing injection plate layouts in InjectionDesign and

Use when you have mass spectrometry data loaded into a pandas DataFrame

Use when when you have two or more MsBackend objects (e.g., multiple

Use when when you have execution time data for visualization scripts

Use when you have execution-time metrics (from a benchmark table or profiling

Use when you are designing or optimizing an MsBackend implementation

Use when you need to support multiple plotting backends for the same

Use when after batch correction of metabolomics data when you need to

Use when when training a regression or neural-network model on paired

Use when when predicting one data modality (e.g., metabolite abundances)

Use when use when the workflow requires background-distribution-significance-thresholding.

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

Use when when you have trained predictive models (e.g., neural networks)

Use when after generating an initial LC-MS feature table (from Asari

Use when you have a feature table from LC-MS data alongside blank (solvent-only)

Use when processing MS-DIAL peak lists from untargeted LC-MS/MS experiments

Use when when preparing to perform pathway enrichment analysis on metabolomics

Use when when you need to verify the current operational status of a

Use when after noise filtering and polarity selection of MS/MS spectra

Use when you have raw MS/MS spectral data in standard mass spectrometry