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Claude Skills by HolobiomicsLab
github.com/HolobiomicsLab4,372 skills13 installs12,718 views
- Chemical Graph Connectivity ValidationUse when after a machine learning model has generated predicted molecularVotes: 0GitHub stars: 16
- Chemical Identifier MappingUse when you have .msp spectral library files with compound names butVotes: 0GitHub stars: 16
- Chemical Identifier Unification'Use when when you have raw GC-MS output (CSV with columns: Component.RT,Votes: 0GitHub stars: 16
- Chemical Identifier VerificationUse when when you have a list of chemically known compounds and needVotes: 0GitHub stars: 16
- Chemical Mass Tolerance MatchingUse when when you have a metabolomics peak list (m/z values with optionalVotes: 0GitHub stars: 16
- Chemical Match Score InterpretationUse when when you have query chemicals identified by GC-MS (with Match.FactorVotes: 0GitHub stars: 16
- Chemical Metadata HarmonizationUse when when aggregating MS/MS spectra from multiple public repositoriesVotes: 0GitHub stars: 16
- Chemical Metadata IntegrationUse when when you have a GNPS molecular network (graphml or cytoscapeVotes: 0GitHub stars: 16
- Chemical Metadata Retrieval And AggregationUse when after raw GC-MS CSV input has been parsed into separate matricesVotes: 0GitHub stars: 16
- Chemical Name Normalization And Publish Database IntegrationUse when after spreadOut() has converted raw CSV peak data into a structuredVotes: 0GitHub stars: 16
- Chemical Noise Subformula Loss FilteringUse when you have MS/MS spectra with high chemical noise (spurious ionsVotes: 0GitHub stars: 16
- Chemical Noise Tagging And FilteringUse when you have MS/MS spectra contaminated with chemical noise (spuriousVotes: 0GitHub stars: 16
- Chemical Ontology MappingUse when your analysis has produced both in silico structural predictionsVotes: 0GitHub stars: 16
- Chemical Phylogenetic ComparisonUse when you have LC-MS/MS data preprocessed with MZmine2 into an MGFVotes: 0GitHub stars: 16
- Chemical Shift AnnotationUse when when you have preprocessed 1H NMR spectral data with unidentifiedVotes: 0GitHub stars: 16
- Chemical Shift Coordinate ExtractionUse when you have loaded an INADEQUATE NMR spectrum file and need toVotes: 0GitHub stars: 16
- Chemical Shift Data FormattingUse when you have collected or parsed 1H and 13C NMR peak data (chemicalVotes: 0GitHub stars: 16
- Chemical Shift Reference MatchingUse when when preparing an input spectral peak list for NMRformer orVotes: 0GitHub stars: 16
- Chemical Similarity ClusteringUse when you have untargeted LC-MS/MS metabolomic data (MS1 featuresVotes: 0GitHub stars: 16
- Chemical Similarity Metric AggregationUse when when you have an unknown metabolite compound with mass spectralVotes: 0GitHub stars: 16
- Chemical Similarity Metrics EvaluationUse when after training a sequence-to-sequence decoder that reconstructsVotes: 0GitHub stars: 16
- Chemical Space Similarity ComputationUse when you have retrieved multiple candidate structures from a molecularVotes: 0GitHub stars: 16
- Chemical Space Structure RankingUse when you have an unknown compound's mass spectrum (m/z peaks andVotes: 0GitHub stars: 16
- Chemical Structure Annotation Oracle ModeUse when you have a known compound structure with validated MS/MS spectrumVotes: 0GitHub stars: 16
- Chemical Structure Annotation PreparationUse when you have acquired composite fragmentation spectra from DIA experimentsVotes: 0GitHub stars: 16
- Chemical Structure Annotation RetrievalUse when you have MS/MS spectra from public repositories (e.g., GNPS)Votes: 0GitHub stars: 16
- Chemical Structure Descriptor ComputationUse when when you have a set of molecular structures (N-Me derived unsaturatedVotes: 0GitHub stars: 16
- Chemical Structure Fingerprint ComparisonUse when when you have MS/MS spectra with known chemical structures (InChIKeysVotes: 0GitHub stars: 16
- Chemical Structure Format VerificationUse when working with mass spectrometry spectral libraries (GNPS, MoNA,Votes: 0GitHub stars: 16
- Chemical Structure Representation ConversionUse when when you have .msp mass spectrometry metadata containing chemicalVotes: 0GitHub stars: 16
- Chemical Structure SerializationUse when you need to export a stored chemical structure (sequence orVotes: 0GitHub stars: 16
- Chemical Structure Similarity MatchingUse when you have a set of query chemical compounds (as SMILES, names,Votes: 0GitHub stars: 16
- Chemical Structure Smiles AssignmentUse when you have a mass spectral library (EI or MS2 format) loaded intoVotes: 0GitHub stars: 16
- Chemical Structure Transformation DocumentationUse when when you have access to source code or algorithmic documentationVotes: 0GitHub stars: 16
- Chemical Structure ValidationUse when after compound database dereplication with SIRIUS or MetFragVotes: 0GitHub stars: 16
- Chemical Transformation AnnotationUse when after computing all pairwise mass differences from MS imagingVotes: 0GitHub stars: 16
- Chemical Transformation Library LookupUse when you have a histogram of mass differences (from pairwise comparisonsVotes: 0GitHub stars: 16
- Chemical Type Classification And AnnotationUse when after identifying query chemicals from GC-MS data (via Match.Votes: 0GitHub stars: 16
- Chemical Valence Constraint ValidationUse when when you have enumerated a large pool of candidate chemicalVotes: 0GitHub stars: 16
- Cheminformatics Database QueryingUse when you have a list of identified or suspected chemical compoundVotes: 0GitHub stars: 16
- Cheminformatics Library QueryingUse when you have a list of query chemicals (compound names or SMILES)Votes: 0GitHub stars: 16
- Cheminformatics Substructure Matching And Reaction Templates'Use when you have a chemical substrate and need to predict its biotransformationVotes: 0GitHub stars: 16
- Chemodiversity Descriptor CalculationUse when you have a formula-assigned FT-ICR MS dataset (CSV or tab-delimitedVotes: 0GitHub stars: 16
- Chemodiversity Metric CalculationUse when when you have sum-normalized peak-abundance matrices from FT-ICRVotes: 0GitHub stars: 16
- Chimeric Spectra Classification Model TrainingUse when when your DDA-mode LC-MS/MS data exhibits chimeric spectra patternsVotes: 0GitHub stars: 16
- Chimeric Spectrum Detection And FilteringUse when you have acquired LC-MS/MS data in Data-Dependent AcquisitionVotes: 0GitHub stars: 16
- Chromatogram Alignment WarpingUse when you have baseline-corrected and smoothed 2D-TIC chromatogramVotes: 0GitHub stars: 16
- Chromatogram And Ionization Intensity Modeling'Use when when you need to simulate LC-MS/MS data for fragmentation strategyVotes: 0GitHub stars: 16
- Chromatogram Artifact RemovalUse when raw NetCDF-format GCxGC-MS chromatograms exhibit steady or increasingVotes: 0GitHub stars: 16
- Chromatogram Baseline Correction PreprocessingUse when you have raw or folded 2D-TIC chromatogram data (typically importedVotes: 0GitHub stars: 16