Claude Skills by HolobiomicsLab

Use when you have obtained a repository containing simulation scripts

'Use when you have raw IMC and SIMS image data from the same tissue region(s)

Use when you have detected monoisotopic features (m/z, drift_time, retention_time,

Use when you have a metabolite intensity matrix (samples × metabolites,

Use when when you have a log2-normalized, zero-mean, unit-variance intensity

Use when when you have a peak intensity matrix (rows = metabolite features,

Use when your LC-HRMS metabolomics analysis must run on a high-performance

Use when you have a Nextflow workflow (e.g., Nextflow4MS-DIAL) that currently

Use when you have a Docker image published to a registry (e.g., docker://stravsm/msnovelist6),

Use when building a transformer-based neural network for chemical formula

Use when you have variable-length lists of MS/MS peaks (m/z and intensity

Use when when you have processed LC-MS/MS data with precursor m/z, ionization

Use when after running SIRIUS on a mass spectrometry feature set and

Use when you have computationally generated precursor m/z values, fragment

Use when rapid QC-MS detects a QC failure (e.g., internal standard retention

Use when you have a machine learning training workflow (e.g., k-fold

Use when when you have ionized adduct structures (SMILES or MOL format)

Use when when you have a set of small molecule structures (as SMILES

Use when when you have retention order predictions from multiple ensemble

Use when you have a small-molecule chemical structure in an initial or

Use when you have observed compounds (from LC-MS, GC-MS, or spectroscopy)

Use when you need to predict small molecule metabolism in soil or aquatic

Use when when you have seed metabolite structures (SMILES or MOL format)

Use when when you have a set of known chemical reactions (e.g., from

Use when when you have SMILES structures of small organic molecules and

Use when when processing raw SMILES strings from external databases or

Use when when you have molecular structures in proprietary or non-standard

Use when you have molecular structures in raw or unstructured form and

'Use when when obtaining transformation products through mixed algorithmic

Use when when you have a mass spectral library (MSP format) that lacks

Use when when you have a mixed batch of chemical structure queries in

Use when you have implemented a new RDKit-based ComputeConverter for

Use when when you have molecular structures encoded as SMILES strings

Use when when you have a list of candidate metabolite identifiers in

Use when when processing downloaded mass spectral libraries (particularly

Use when you have SMILES strings for candidate novel psychoactive substance

Use when when you have a dataset of molecular structures encoded as SMILES

Use when you have downloaded or obtained a dataset of small molecules

Use when when you have molecular structures in SMILES or SDF format that

Use when you have raw molecular structures in SMILES or SDF format that

Use when you have a natural product molecule or compound library provided

Use when you have a set of chemical structures (as SMILES strings or

Use when when you have SMILES strings as input to a molecular machine

Use when when you have a raw list of SMILES strings in a file and need

Use when you have a target molecule (e.g., acetaminophen, a drug candidate,

'Use when you have raw SMILES strings from multiple external database

Use when you have MSBERT-preprocessed spectral datasets (GNPS, MoNA,

Use when you have a mass spectral library in MSP format (e.g., from NIST,

Use when you have LC–QTOF mass spectra from real environmental or biological

Use when when you have raw molecular structures in SMILES or .sdf format