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Claude Skills by HolobiomicsLab
github.com/HolobiomicsLab4,372 skills13 installs12,718 views
- Molecular Spectrum Prediction BaselineUse when you have multiple mass spectrum prediction models to compareVotes: 0GitHub stars: 16
- Molecular Structure AttributionUse when you have a trained GNN model predicting CCS values from molecularVotes: 0GitHub stars: 16
- Molecular Structure Conformer GenerationUse when you have 2D molecular structures (SMILES or SDF format) andVotes: 0GitHub stars: 16
- Molecular Structure Dataset CurationUse when you have a collection of molecular structures (with SMILES strings,Votes: 0GitHub stars: 16
- Molecular Structure EncodingUse when you have molecular structures (SMILES strings or molecular graphs)Votes: 0GitHub stars: 16
- Molecular Structure Generation EvaluationUse when you have access to pre-trained MSGO model weights (PFAS or lipidVotes: 0GitHub stars: 16
- Molecular Structure Graph RepresentationUse when when you have a set of chemical structures (SMILES strings orVotes: 0GitHub stars: 16
- Molecular Structure Ground Truth Matching And Accuracy EvaluationUse when after an end-to-end neural model (CNN + transformer) has generatedVotes: 0GitHub stars: 16
- Molecular Structure Input FormattingUse when when you have a molecular structure in any representation (drawnVotes: 0GitHub stars: 16
- Molecular Structure Prediction EvaluationUse when you have trained a multitask NMR-to-structure model and needVotes: 0GitHub stars: 16
- Molecular Structure Prediction From SpectraUse when you have preprocessed 1D ¹H and/or ¹³C NMR spectra (as numericalVotes: 0GitHub stars: 16
- Molecular Structure Prediction Out Of DistributionUse when your goal is to assess whether a pretrained NMR2Struct modelVotes: 0GitHub stars: 16
- Molecular Structure Prediction ValidationUse when when you have executed the MultiModalSpectralTransformer architectureVotes: 0GitHub stars: 16
- Molecular Structure Reconstruction From EmbeddingsUse when you have a pretrained encoder that produces fixed-size embeddingsVotes: 0GitHub stars: 16
- Molecular Structure Representation LearningUse when when you have paired mass spectra and molecular structure dataVotes: 0GitHub stars: 16
- Molecular Structure Tokenization SmilesUse when when you have molecular structures encoded as SMILES stringsVotes: 0GitHub stars: 16
- Molecular Structure TransformationUse when when you have native metabolite structures (SMILES or mol format)Votes: 0GitHub stars: 16
- Molecular Transformation Frequency FilteringUse when after clustering pairwise mass differences into transformationVotes: 0GitHub stars: 16
- Molecular Weight Inference ComparisonUse when after RAMClustR clustering of XCMS-detected features and priorVotes: 0GitHub stars: 16
- Molecular Weight Prediction From Ei MsUse when you have EI-MS spectrum data (m/z and intensity pairs) fromVotes: 0GitHub stars: 16
- Molecular Weight Prediction With ModificationsUse when when you have metabolite structures (as SMILES strings) andVotes: 0GitHub stars: 16
- Mona Metadata Field ExtractionUse when when you have loaded a MoNA mass spectral library (GC-MS orVotes: 0GitHub stars: 16
- Monte Carlo Dropout Uncertainty QuantificationUse when when a trained Siamese neural network model makes predictionsVotes: 0GitHub stars: 16
- Morphological Alignment OptimizationUse when you have two or more spatial omics datasets (e.Votes: 0GitHub stars: 16
- Motif Database Lookup And RetrievalUse when after completing the MS2LDA LDA modeling step when you haveVotes: 0GitHub stars: 16
- Motif Pseudo Spectra Optimization FilteringUse when after LDA has converged and inferred Mass2Motifs from preprocessedVotes: 0GitHub stars: 16
- Motif Similarity Ranking InterpretationUse when after executing MassQL queries against a MotifDB reference databaseVotes: 0GitHub stars: 16
- Motifdb Reference Library QueryingUse when after Mass2Motifs have been inferred from tandem MS/MS spectraVotes: 0GitHub stars: 16
- Mpactr Data Object Lifecycle TrackingUse when when chaining multiple mpactr filters on a peak table and youVotes: 0GitHub stars: 16
- Mpactr Filter ApplicationUse when you have a preprocessed peak table from tandem MS/MS data (e.Votes: 0GitHub stars: 16
- Mrm Data Format IngestionUse when you have raw MRM lipidomics export files in vendor-specificVotes: 0GitHub stars: 16
- Mrm Transition ExtractionUse when you have raw LC-MS/MS data in MRM acquisition mode and needVotes: 0GitHub stars: 16
- Mrm Transition Lipid Identity MappingUse when after parsing raw MRM data into a transition table containingVotes: 0GitHub stars: 16
- Ms Adduct Annotation And RecognitionUse when when processing LC-MS peak tables from isotope tracing experimentsVotes: 0GitHub stars: 16
- Ms Annotation Result ValidationUse when after running annotateRC on LC–MS AIF features with fragmentVotes: 0GitHub stars: 16
- Ms Backend Api ImplementationUse when you have MS data in a new format or storage system (e.g., aVotes: 0GitHub stars: 16
- Ms Data Constraint Enforcement'Use when implementing or validating a new MsBackend class that storesVotes: 0GitHub stars: 16
- Ms Data Format Identification'Use when when receiving raw MS data files of unknown or mixed acquisitionVotes: 0GitHub stars: 16
- Ms Data Format Parsing And ConversionUse when you have raw breath HRMS data in mzML or mzXML format and needVotes: 0GitHub stars: 16
- Ms Data PreprocessingUse when you have received raw CE-MS or LC-MS output files in vendor-specificVotes: 0GitHub stars: 16
- Ms Dial Export File SpecificationUse when you have MS-DIAL 4 or MS-DIAL 5 alignment results and need toVotes: 0GitHub stars: 16
- Ms Dial Export Format HandlingUse when you have performed lipid identification in MS-DIAL and needVotes: 0GitHub stars: 16
- Ms Dial Feature Detection And AlignmentUse when when you have raw LC-HRMS data in .mzML or .abf format and needVotes: 0GitHub stars: 16
- Ms Dial Output ParsingUse when you have completed peak picking in MS-DIAL (generating filesVotes: 0GitHub stars: 16
- Ms Dial Peak Character EstimationUse when you have a filtered MS-DIAL peak list (post-generic filtering,Votes: 0GitHub stars: 16
- Ms Dial Version CompatibilityUse when you are preparing to run LipoCLEAN on MS-DIAL output and needVotes: 0GitHub stars: 16
- Ms Feature Tree ConstructionUse when you have untargeted LC-MS/MS metabolomic data (peak-detectedVotes: 0GitHub stars: 16
- Ms Finder Format ExportUse when after completing MS-CleanR filtering (blank subtraction, backgroundVotes: 0GitHub stars: 16
- Ms Instrument Data PreprocessingUse when you have raw mass spectrometry data files from a mass spectrometerVotes: 0GitHub stars: 16
- Ms Instrument Type ClassificationUse when when evaluating or designing a mass spectrometry data analysisVotes: 0GitHub stars: 16