Claude Skills by HolobiomicsLab

Use when when you have a set of gallery or benchmark scripts (e.

Use when when you need to validate that a newly published bioinformatics

Use when you have multiple candidate normalization methods for metabolomics

Use when when releasing or archiving a computational workflow (e.g.,

Use when you have access to both raw data (deposited in a repository

Use when when evaluating a new or updated version of a data processing

Use when when you need to compare the computational efficiency of different

Use when after peak detection and feature alignment in a metabolomic

Use when you need to add a new local chemical structure conversion capability

'Use when initializing a chemical metadata annotation pipeline and you

Use when you have loaded m/z peak data with metadata that includes a

Use when after GCMSFormer (or similar Transformer model) has predicted

Use when when you have a targeted metabolomics peak area intensity table

Use when you have (1) a set of calibration samples with known spiked

Use when you have paired quantitative variation patterns for the same

Use when when setting up a new computational workflow (e.g., ENPKG) that

Use when when you have identified all software dependencies and their

Use when you have received a conda/pip requirements file (e.g., jestr_requirements.txt)

Use when preparing a fresh system or user account to run MSIGen for mass

'Use when you need to create a synthetic feature table with known, ground-truth

'Use when when designing a dataset storage layer that must handle variable

Use when a Python library exposes functionality that depends on external

Use when when accepting a file path as input in an MSI data processing

Use when a mass spectrometry analysis pipeline must accept data from

Use when you have received a peak/feature table from an unknown or variable

Use when when you have loaded a raw mass spectrum (e.g., ESI_NEG_SRFA.d

Use when when you have a Streamlit workflow application that must support

'Use when you need to create a derived image array where the output value

Use when you have a user-submitted spectrum with domain-context metadata

Use when converting JSON metadata and you need to populate a target field

Use when you need to understand how a data-processing software system

Use when you have received a USI string (formatted as mzspec:<namespace>:<resource>:<identifier_type>:<identifier>)

'Use when when visualizing numeric columns with unknown or highly variable

Use when after matching MRM transitions against a lipid reference database,

Use when when you have a trained deep learning model (e.g., PS2MS) and

Use when after executing forward inference on preprocessed mass spectrometry

Use when when loading search results from Data-Independent Acquisition

Use when when processing multiple PSM files from search engines (e.g.,

Use when you need to set up a LipoCLEAN analysis for MS-DIAL lipid identifications

Use when when you have PSM files from proteomics search engines (MaxQuant,

Use when when you need to expand or contract a mass spectrometry dataset

Use when when setting up NPLinker for natural products data mining and

Use when when designing a library that needs to support multiple plotting

Use when when you have generated or edited a LipoCLEAN `options.txt`

Use when after RDKit has generated a large set of 3D conformers for a

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

Use when you have a set of conformers that have already been filtered

Use when after RDKit has generated a large ensemble of 3D conformers

Use when you have SMILES strings of molecules at specific ionization

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