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Claude Skills by HolobiomicsLab
github.com/HolobiomicsLab7,765 skills0 installs8,278 views
- Spectral Preprocessing For Machine LearningUse when when preparing raw MS2 spectra (m/z and intensity pairs) forVotes: 0GitHub stars: 15
- Spectral Quality Assurance ProteomicsUse when when you have extracted a raw Orbitrap scan from a .raw fileVotes: 0GitHub stars: 15
- Spectral Quality Control AssessmentUse when after MS1 extraction (coarse/fine error correction, EIC windowVotes: 0GitHub stars: 15
- Spectral Quality Filtering Signal To NoiseUse when you have raw spectroscopic datasets (NMR, HSQC, COSY, IR) inVotes: 0GitHub stars: 15
- Spectral Quality Metrics ExtractionUse when you have multi-sample MS1 data (from Agilent, Thermo, Bruker,Votes: 0GitHub stars: 15
- Spectral Query FormulationUse when you have a query mass spectrum (or representative metaboliteVotes: 0GitHub stars: 15
- Spectral Reference Peak SummarizationUse when after peak picking and alignment have been performed on preprocessedVotes: 0GitHub stars: 15
- Spectral Result Visualization VerificationUse when after running annotateRC to generate ranked candidate annotationsVotes: 0GitHub stars: 15
- Spectral Retrieval Ranking TaskUse when when you have pre-computed dense embeddings for query spectraVotes: 0GitHub stars: 15
- Spectral Roi Boundary DefinitionUse when when you have identified a spectral window of interest in aVotes: 0GitHub stars: 15
- Spectral Scan Generation And ExportUse when you have real LC-MS/MS data (mzML) from a complex sample (e.g.,Votes: 0GitHub stars: 15
- Spectral Scan Metadata MatchingUse when you have extracted MS1 and MS2 scans in mzML/mzXML format fromVotes: 0GitHub stars: 15
- Spectral Scoring And Significance Assessment'Use when you have executed multiple database search pipelines (Dereplicator,Votes: 0GitHub stars: 15
- Spectral Search Logic Control FlowUse when when you need to understand or modify how MS2Query routes queryVotes: 0GitHub stars: 15
- Spectral Search Performance EvaluationUse when when you have implemented or obtained a spectral library searchVotes: 0GitHub stars: 15
- Spectral Search Result AggregationUse when when you have executed batch searches of MS/MS spectra againstVotes: 0GitHub stars: 15
- Spectral Signal DetectionUse when you have mzML mass spectrometry data and a list of predictedVotes: 0GitHub stars: 15
- Spectral Similarity ComputationUse when after inferring Mass2Motif definitions from LDA modeling whenVotes: 0GitHub stars: 15
- Spectral Similarity Distance Metric SelectionUse when when you have processed LC-MS/MS spectral data in .mgf formatVotes: 0GitHub stars: 15
- Spectral Similarity GroupingUse when when you have computed a sparse pairwise distance matrix fromVotes: 0GitHub stars: 15
- Spectral Similarity Matching AlgorithmsUse when when you have experimental MS/MS spectra (from mzML or .rdaVotes: 0GitHub stars: 15
- Spectral Similarity Matching And ComparisonUse when after extracting and optionally combining MS2 spectra from aVotes: 0GitHub stars: 15
- Spectral Similarity Matrix ComputationUse when after preprocessing and filtering mass spectra (peak filtering,Votes: 0GitHub stars: 15
- Spectral Similarity Measure ImplementationUse when you have MSMS spectra from two or more compounds and need toVotes: 0GitHub stars: 15
- Spectral Similarity Metric ComputationUse when after clustering peak networks from INADEQUATE spectra and beforeVotes: 0GitHub stars: 15
- Spectral Similarity Network BuildingUse when when you have detected LC-MS/MS features (MS1 peaks with MS2Votes: 0GitHub stars: 15
- Spectral Similarity Network ConstructionUse when after acquiring MS/MS spectral data from untargeted metabolomicsVotes: 0GitHub stars: 15
- Spectral Similarity Network GenerationUse when after feature detection and alignment across LC-MS/MS runs (viaVotes: 0GitHub stars: 15
- Spectral Similarity Prediction Deep LearningUse when when you have paired MS/MS spectra (unknown and known metabolites)Votes: 0GitHub stars: 15
- Spectral Similarity Prediction EvaluationUse when use when the workflow requires spectral-similarity-prediction-evaluation.Votes: 0GitHub stars: 15
- Spectral Similarity Prediction Neural NetworksUse when when you have paired MS/MS spectra with known structural similarityVotes: 0GitHub stars: 15
- Spectral Similarity RankingUse when you have a query MS/MS spectrum and need to identify the -matchingVotes: 0GitHub stars: 15
- Spectral Similarity Score ComputationUse when when you have pairs of MS/MS spectra (in mgf, msp, mzml, mzxml,Votes: 0GitHub stars: 15
- Spectral Similarity Scoring And RankingUse when after discovering Mass2Motifs via LDA topic modeling on MS/MSVotes: 0GitHub stars: 15
- Spectral Similarity Scoring And Reference MatchingUse when when you have extracted MS2 spectra from DDA chromatographicVotes: 0GitHub stars: 15
- Spectral Similarity Scoring ComputationUse when you have a query spectrum (or set of query spectra) and needVotes: 0GitHub stars: 15
- Spectral Similarity Scoring CosineUse when you have a collection of preprocessed and cleaned mass spectrometryVotes: 0GitHub stars: 15
- Spectral Similarity Scoring Ei SimpleUse when you have a query electron ionization (EI) mass spectrum andVotes: 0GitHub stars: 15
- Spectral Similarity Scoring Parent TpUse when after generating TP candidates (via in-silico prediction orVotes: 0GitHub stars: 15
- Spectral Similarity Scoring With Mass ShiftsUse when you have an unknown query spectrum suspected to carry a post-translationalVotes: 0GitHub stars: 15
- Spectral Similarity ScoringUse when when you have extracted low-resolution mass spectra from individualVotes: 0GitHub stars: 15
- Spectral Similarity ValidationUse when after training a Word2vec model on tokenized mass spectra andVotes: 0GitHub stars: 15
- Spectral Smoothing Method ComparisonUse when when you have raw mass spectra in an MSImagingArrays objectVotes: 0GitHub stars: 15
- Spectral Structural Similarity ComputationUse when when you have pre-trained embedding vectors (e.g., from MSBERT)Votes: 0GitHub stars: 15
- Spectral Tensor Representation And Preprocessing'Use when when preparing MS/MS spectra from .msp files for transformer-basedVotes: 0GitHub stars: 15
- Spectral To Structure Mapping PredictionUse when you have preprocessed 1D ¹H and/or ¹³C NMR spectra from an unknownVotes: 0GitHub stars: 15
- Spectral Token DesignUse when when you need to prepare mass spectra and molecular structuresVotes: 0GitHub stars: 15
- Spectral Topic Modeling LdaUse when when you have a collection of normalized mass spectrometry spectraVotes: 0GitHub stars: 15
- Spectral Vector Normalization By IntensityUse when when converting pre-processed MS/MS spectra into fixed-lengthVotes: 0GitHub stars: 15
- Spectral Vector Representation And EncodingUse when when you have a set of mass spectra (query or library) thatVotes: 0GitHub stars: 15