Claude Skills by HolobiomicsLab

Use when you have a curated target list of m/z values, retention times,

Use when when you have centroided .mzML LC–MS runs and a target list

Use when you have centroided LC-MS data (.mzML format) and a curated

Use when beginning a targeted LC–MS metabolomics or lipidomics study

Use when you have targeted metabolomics data with peak area intensities

Use when you have centroided LC–MS data in .mzML format, a validated

Use when you have centroided mzML LC–MS data, a curated list of target

Use when you have raw MS data in a supported instrument format (Agilent

Use when when performing targeted quantification of known compounds in

Use when you have loaded transition group chromatogram data from sqMass

Use when you have a set of lipid targets defined by species name, acyl

Use when ingesting raw SMILES strings from curated structure inventories

Use when you have a metadata table with raw, non-standardized taxonomy

Use when you have a GNPS DBResult file with spectral library matches

Use when after organism name cleaning and standardization (via 1_cleaningOriginal.R

Use when you have organism names originating from 31+ heterogeneous natural

Use when you have a feature table with candidate metabolite annotations

Use when you have a pre-trained model (or candidate models) and need

Use when a paired omics project record contains a genome identifier (e.g.,

Use when you have executed a spectrum search against one or more domain-specific

Use when when preparing a metadata table (TSV format with species, genus,

Use when when reproducing or auditing FIDDLE's formula prediction pipeline,

Use when your metabolomics matrix (log2-scaled, samples × features in

Use when you have tandem MS data with technical replicates and need to

Use when your LCMS metabolomics dataset exhibits run-order-dependent

Use when when you need to verify whether a specific mass spectrometry

Use when when you have a preprocessed metabolomics matrix (log2-scaled,

Use when after merging feature tables from non-targeted LC-MS/MS data

Use when you have time-resolved direct injection mass spectrometry data

Use when raw MS quantification data (feature-by-sample intensity matrix)

Use when when implementing a multi-task deep learning model that predicts

Use when when you need to represent discrete chemical formulae (e.

Use when when you have validated SMILES strings or RDKit molecule objects

Use when you have two embedding tensors of identical shape (e.g., both

Use when when you have raw MS/MS spectral data in the form of intensity

Use when after implementing a shared-weight ResNet18 encoder module but

Use when after assembling a Graphormer backbone with DGL molecular graph

Use when deploying Mass2SMILES on a TensorFlow-CPU build and you need

Use when when you have acquired Keras models (via get_models.sh or similar

Use when you have downloaded pre-trained Keras models and need to prepare

Use when after converting or downloading a pre-trained Keras model to

Use when deploying a TensorFlow model through TensorFlow Serving and

'Use when you have trained Keras models that need to be served as microservices

Use when you have nuclear magnetic resonance (NMR) peak data (1H and

Use when you have deployed a TensorFlow model via TensorFlow Serving

Use when after deploying a TensorFlow model via TensorFlow Serving (e.

Use when integrating a new metadata validation step into a conversion

Use when when you have an existing tool or library with file-based storage

'Use when when you have implemented or modified a bioinformatic fingerprint

Use when you need to verify whether a GitHub Actions workflow badge (e.g.,