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Claude Skills by HolobiomicsLab
github.com/HolobiomicsLab4,372 skills13 installs12,718 views
- Similarity Ranking And Retrieval EvaluationUse when after training contrastive embeddings that unify MS/MS spectraVotes: 0GitHub stars: 16
- Similarity Score Computation For SpectraUse when you have a preprocessed unknown sample spectrum (m/z peaks andVotes: 0GitHub stars: 16
- Similarity Score ComputationUse when when you have a query electron ionization mass spectrum (m/zVotes: 0GitHub stars: 16
- Similarity Score SortingUse when after a deep-learning model has predicted structural similarityVotes: 0GitHub stars: 16
- Similarity Scoring For SpectraUse when you have LC-MS/MS query spectra in mgf format that you needVotes: 0GitHub stars: 16
- Similarity Threshold InterpretationUse when when you have computed Spec2Vec similarity scores (typicallyVotes: 0GitHub stars: 16
- Simulation Control Loop ArchitectureUse when you have a set of metabolites or chemical formulas to analyzeVotes: 0GitHub stars: 16
- Simulation Evaluation Data CaptureUse when when you have simulated DDA (data-dependent acquisition) scansVotes: 0GitHub stars: 16
- Simulation Output SerializationUse when after a ViMMS Environment.run() simulation completes with save_evalVotes: 0GitHub stars: 16
- Single Cell Spatial Metabolomics Data Processing'Use when you have raw IMC and SIMS image data from the same tissue region(s)Votes: 0GitHub stars: 16
- Singly Charged Ion Mass CalculationUse when you have detected monoisotopic features (m/z, drift_time, retention_time,Votes: 0GitHub stars: 16
- Singular Value Decomposition MetabolomicsUse when when you have a log2-normalized, zero-mean, unit-variance intensityVotes: 0GitHub stars: 16
- Singular Value Decomposition Pathway AnalysisUse when when you have a peak intensity matrix (rows = metabolite features,Votes: 0GitHub stars: 16
- Singularity Container Backend SetupUse when your LC-HRMS metabolomics analysis must run on a high-performanceVotes: 0GitHub stars: 16
- Singularity Container DeploymentUse when you have a Nextflow workflow (e.g., Nextflow4MS-DIAL) that currentlyVotes: 0GitHub stars: 16
- Sinusoidal Embedding ImplementationUse when building a transformer-based neural network for chemical formulaVotes: 0GitHub stars: 16
- Sinusoidal Positional Encoding DesignUse when you have variable-length lists of MS/MS peaks (m/z and intensityVotes: 0GitHub stars: 16
- Sirius Spectral Request ConstructionUse when when you have processed LC-MS/MS data with precursor m/z, ionizationVotes: 0GitHub stars: 16
- Sirius Zodiac Score FilteringUse when after running SIRIUS on a mass spectrometry feature set andVotes: 0GitHub stars: 16
- Skyline Import Format SpecificationUse when you have computationally generated precursor m/z values, fragmentVotes: 0GitHub stars: 16
- Slack Api IntegrationUse when rapid QC-MS detects a QC failure (e.g., internal standard retentionVotes: 0GitHub stars: 16
- Small Molecule 3d Structure PreparationUse when when you have ionized adduct structures (SMILES or MOL format)Votes: 0GitHub stars: 16
- Small Molecule Chromatography ModelingUse when when you have a set of small molecule structures (as SMILESVotes: 0GitHub stars: 16
- Small Molecule Compound IndexingUse when when you have retention order predictions from multiple ensembleVotes: 0GitHub stars: 16
- Small Molecule Structure MatchingUse when you have observed compounds (from LC-MS, GC-MS, or spectroscopy)Votes: 0GitHub stars: 16
- Smarts Pattern Matching For Chemical TransformationUse when when you have seed metabolite structures (SMILES or MOL format)Votes: 0GitHub stars: 16
- Smiles Adduct Form EnumerationUse when when you have SMILES structures of small organic molecules andVotes: 0GitHub stars: 16
- Smiles Canonicalization RdkitUse when when processing raw SMILES strings from external databases orVotes: 0GitHub stars: 16
- Smiles Identifier Assignment From Structure FilesUse when when you have a mass spectral library (MSP format) that lacksVotes: 0GitHub stars: 16
- Smiles Molecular ParsingUse when when you have a list of candidate metabolite identifiers inVotes: 0GitHub stars: 16
- Smiles Notation ParsingUse when when processing downloaded mass spectral libraries (particularlyVotes: 0GitHub stars: 16
- Smiles Parsing And ValidationUse when you have SMILES strings for candidate novel psychoactive substanceVotes: 0GitHub stars: 16
- Smiles Parsing ValidationUse when when you have a dataset of molecular structures encoded as SMILESVotes: 0GitHub stars: 16
- Smiles String ValidationUse when you have MSBERT-preprocessed spectral datasets (GNPS, MoNA,Votes: 0GitHub stars: 16
- Smiles Structure Annotation From MolfilesUse when you have a mass spectral library in MSP format (e.g., from NIST,Votes: 0GitHub stars: 16
- Smiles Structure AnnotationUse when you have LC–QTOF mass spectra from real environmental or biologicalVotes: 0GitHub stars: 16
- Smiles Structure PreparationUse when you have a SMILES input file of small organic molecules andVotes: 0GitHub stars: 16
- Smiles Structure Representation HandlingUse when you have generated a TPs object (via generateTPs) containingVotes: 0GitHub stars: 16
- Smoothing Spline Basis SelectionUse when you have a set of anchor feature pairs (m/z and retention timeVotes: 0GitHub stars: 16
- Snakemake Dag Generation And ExecutionUse when you have multiple mzML or mzML.gz files from LC-IMS-MS/MS instrumentsVotes: 0GitHub stars: 16
- Snr Based Signal ValidationUse when after composite map peak detection has generated a full unfilteredVotes: 0GitHub stars: 16
- Sodium Adduct Detection And ClassificationUse when analyzing MALDI-mass spectrometry imaging data in which sodiumVotes: 0GitHub stars: 16
- Software Architecture Documentation ReviewUse when you need to verify the scope and completeness of a softwareVotes: 0GitHub stars: 16
- Software Dependency Management And Environment SetupUse when you are preparing to run the MetaboDirect pipeline for the firstVotes: 0GitHub stars: 16
- Software Feature Inventory And ComparisonUse when you need to assess whether a newly developed FT-ICR MS pipelineVotes: 0GitHub stars: 16
- Software Performance Characterization And Scaling AnalysisUse when when a tool claims to be 'scalable' or 'performance-conscious'Votes: 0GitHub stars: 16
- Software Plugin DevelopmentUse when when you have a scientific software tool (e.g., Met-ID) thatVotes: 0GitHub stars: 16
- Software Support Matrix ConstructionUse when you need to determine the full scope of hardware and methodologicalVotes: 0GitHub stars: 16
- Software Testing Unit ValidationUse when after making code modifications (bug fixes, new features, orVotes: 0GitHub stars: 16
- Software Tool EnumerationUse when a software package claims to bundle or install a specific numberVotes: 0GitHub stars: 16