Claude Skills by HolobiomicsLab

Use when when you have a collection of MS/MS reference spectra and unknown

Use when after peak clustering, network filtering, and database matching

Use when you have loaded multidimensional MS data (from MZA HDF5 files

Use when after implementing or modifying a cross-language integration

Use when when you have raw spectroscopic measurements in heterogeneous

Use when you have tandem MS spectra from structurally related or known

Use when after generating probability predictions for potential modification

Use when you have a TCN-predicted training set of MS/MS spectra with

Use when after applying any sequence of spectrum preprocessing operations

Use when you have raw, high-resolution MS/MS spectra in mzML, mzXML,

Use when you have mass spectrometry data in a Pandas DataFrame with columns

'Use when you have computed a sparse pairwise distance matrix from nearest

Use when you have acquired raw or semi-processed mass spectra and need

Use when when you have a USI (e.g., mzspec:MTBLS1124:QC07.mzML) pointing

Use when when preparing MS/MS spectral data for training word-embedding

Use when after embedding MS/MS spectra into 32-dimensional GLEAMS vectors,

Use when you have pre-computed Word2vec embeddings of mass spectra and

Use when when implementing or auditing a deep learning pipeline for MS/MS-based

Use when you have raw mass spectrometry spectra (peak lists or intensity

Use when you have raw or minimally processed tandem MS spectra (in mzML,

Use when processing heterogeneous mass spectrometry libraries (e.g.,

Use when when you have paired tandem MS spectra and corresponding molecular

Use when you have loaded raw PSM search results from a proteomics search

Use when when ingesting heterogeneous MS spectral data from multiple

Use when when you have raw mass spectrometry data from diverse instrument

Use when importing mass spectra from multiple open mass spectra libraries

Use when when you have a USI (Universal Spectrum Identifier) string referencing

Use when you have mass-spectrometry data files in mixed formats (e.

Use when a user submits one or more MS/MS spectra (via .mgf file, USI

Use when when you have PSM files from a search engine (e.g., MaxQuant,

Use when after importing raw mass spectrometry data from mzML, mzXML,

Use when you have raw MS2 spectra in common formats (mzML, mzXML, msp,

Use when when you have raw tandem mass spectrometry peak data (m/z and

Use when when you have parsed XML elements from an mzML or mzML.gz file

Use when after successfully parsing raw spectral data from one of the

Use when when building a mass spectrometry data import pipeline that

Use when you have pairs of MS/MS spectra and need to estimate their structural

Use when you have a test set of annotated MS/MS spectra with known structural

Use when when you need to quantify and compare the filtering efficacy

Use when you have an experimental tandem mass spectrum (peaks with m/z

Use when when you have a tandem mass spectrum (MS/MS) and a ProForma

Use when you have mass spectrometry spectral data loaded into a Pandas

Use when you have raw MS/MS spectra in MGF or other standard formats

Use when when preparing raw MS/MS spectra for input to a Siamese neural

Use when when you have raw MS/MS spectra with residual noise or low-intensity

Use when when training a formula-prediction model with a frozen pretrained

Use when you have raw mass spectrometry spectra (in MGF, mzML, or similar

Use when when selecting a spectrum processing library for high-throughput

Use when you have parsed LC-MS/MS spectral data (precursor m/z, ionization

Use when when you need to retrieve specific spectra from mzML files by