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Claude Skills by HolobiomicsLab
github.com/HolobiomicsLab4,372 skills13 installs12,718 views
- Github Actions Workflow ExecutionUse when you have a GitHub repository containing scientific records (e.Votes: 0GitHub stars: 16
- Global Similarity AggregationUse when after computing pairwise cosine similarities between all spectraVotes: 0GitHub stars: 16
- Gnn Architecture Design For Molecular GraphsUse when when you have preprocessed molecular graph data (node and edgeVotes: 0GitHub stars: 16
- Gnn Model Inference And PredictionUse when you have a pre-trained GNN model checkpoint, a test datasetVotes: 0GitHub stars: 16
- Gnps Data Format Conversion And MappingUse when you have GNPS molecular networking output (from GNPS1 at https://gnps.ucsd.eduVotes: 0GitHub stars: 16
- Gnps Data Schema ValidationUse when after extracting a GNPS molecular networking job archive usingVotes: 0GitHub stars: 16
- Gnps Library Format AssemblyUse when you have extracted MS1 and MS2 scans (in mzML/mzXML format)Votes: 0GitHub stars: 16
- Gnps Mgf Format HandlingUse when you have mass spectrometry MS/MS spectral data in GNPS-styleVotes: 0GitHub stars: 16
- Gnps Molecular Network IntegrationUse when you have computed frequent fragmentation patterns from a collectionVotes: 0GitHub stars: 16
- Gnps Molecular Networking Data ParsingUse when you have downloaded a GNPS archive from either GNPS1 (https://gnps.ucsd.edu)Votes: 0GitHub stars: 16
- Gnps Network File HandlingUse when you have a GNPS molecular network job and need to programmaticallyVotes: 0GitHub stars: 16
- Gnps Network ProcessingUse when you have generated a GNPS mass spectral molecular network (inVotes: 0GitHub stars: 16
- Gnps Repository QueryingUse when when you have a USI string (e.g., mzspec:GNPS:TASK-d93bdbb5cdda40e48975e6e18a45c3ce-...Votes: 0GitHub stars: 16
- Gnps Spectral Data ProcessingUse when your input is raw or semi-processed MS/MS spectra fetched fromVotes: 0GitHub stars: 16
- Gnps Spectral Library Compound RetrievalUse when you have GNPS library accession IDs (e.g. CCMSLIB00011906190)Votes: 0GitHub stars: 16
- Gnps Workflow IdentificationUse when you have downloaded a GNPS molecular networking job archiveVotes: 0GitHub stars: 16
- Gnps Workflow Identifier RetrievalUse when when you have a GNPS molecular networking task ID and need toVotes: 0GitHub stars: 16
- Gnps Workflow Result ProcessingUse when when you have run a spectral networking job on GNPS (e.g. ProteoSAFe-METABOLOMICS-SNETS-V2)Votes: 0GitHub stars: 16
- Gpu Accelerated Computation'Use when when processing large-scale mass spectrometry datasets (>1Votes: 0GitHub stars: 16
- Gpu Accelerated Nearest Neighbor IndexingUse when when searching unknown mass spectra against large high-resolutionVotes: 0GitHub stars: 16
- Gpu Accelerated Similarity SearchUse when you have a large spectral library and many query spectra toVotes: 0GitHub stars: 16
- Gpu Accelerated Spectrum ClusteringUse when you have a large collection of tandem mass spectra (≥100k spectra)Votes: 0GitHub stars: 16
- Gpu Acceleration Cuda ConfigurationUse when when clustering or encoding large MS/MS spectra datasets (>1Votes: 0GitHub stars: 16
- Gradient Based Saliency MappingUse when you have a trained graph neural network model for CCS predictionVotes: 0GitHub stars: 16
- Gradient Flow VerificationUse when after implementing a composite loss function that combines multipleVotes: 0GitHub stars: 16
- Gradient Performance EncodingUse when when you have extracted retention times from the top detectedVotes: 0GitHub stars: 16
- Gradient Space Optimization SearchUse when after fitting a Gaussian Process regression model to prior LC-MSVotes: 0GitHub stars: 16
- Graph Attribute AnnotationUse when after dereplication and cosine similarity clustering have beenVotes: 0GitHub stars: 16
- Graph Based Feature AnnotationUse when you have a GNPS molecular network (in GML or GraphML format)Votes: 0GitHub stars: 16
- Graph Based Identity TransferUse when when you have spectral library matches (seed identities withVotes: 0GitHub stars: 16
- Graph Based Knowledge RepresentationUse when annotating metabolites in untargeted metabolomics experimentsVotes: 0GitHub stars: 16
- Graph Based Metabolite Similarity AssessmentUse when you have a collection of MS/MS spectra (stored as Spectrum2Votes: 0GitHub stars: 16
- Graph Based Molecular RepresentationUse when when you have 1D NMR spectra (¹H and/or ¹³C) as input and needVotes: 0GitHub stars: 16
- Graph Clustering Community DetectionUse when after constructing a spectral similarity network from pairwiseVotes: 0GitHub stars: 16
- Graph Database Indexing And SerializationUse when you have retrieved and deduplicated chemical formulae and metadataVotes: 0GitHub stars: 16
- Graph Enrichment OperationsUse when you have a GNPS mass spectral molecular network and wish toVotes: 0GitHub stars: 16
- Graph Neural Network Architecture Assembly'Use when when you have: (1) a collection of molecules represented asVotes: 0GitHub stars: 16
- Graph Neural Network Architecture ImplementationUse when you have a baseline GNN model trained on a molecular propertyVotes: 0GitHub stars: 16
- Graph Neural Network Design For ChemistryUse when you have 1D or 2D NMR spectra (1H and/or 13C) and need to predictVotes: 0GitHub stars: 16
- Graph Neural Network Encoder DesignUse when when you need to compare spectrum prediction models fairly acrossVotes: 0GitHub stars: 16
- Graph Neural Network Encoding For MoleculesUse when you have molecular structures (SMILES or SDF format) that needVotes: 0GitHub stars: 16
- Graph Neural Network ImplementationUse when when your input includes molecular structures (SMILES, conformers)Votes: 0GitHub stars: 16
- Graph Neural Network Model InferenceUse when you have a trained GNN model (stored as .h5 weights) and molecularVotes: 0GitHub stars: 16
- Graph Neural Network Model LoadingUse when when you need to evaluate GNN performance on collision crossVotes: 0GitHub stars: 16
- Graph Node Edge Attribute AssignmentUse when you have statistically significant LC-MS features grouped intoVotes: 0GitHub stars: 16
- Graph Tensor SerializationUse when after constructing feature tensors encoding atom adjacency matrices,Votes: 0GitHub stars: 16
- Graph Visualization Interactive RenderingUse when after constructing a NetworkX graph object from structural clustersVotes: 0GitHub stars: 16
- Graphical Time Warping Parameter TuningUse when your XCMS-processed LC-MS dataset exhibits retention-time driftVotes: 0GitHub stars: 16
- Grid Search Evaluation And Threshold IdentificationUse when you have a fitted alignment model (e.g., metabCombiner objectVotes: 0GitHub stars: 16
- Ground Truth Intensity CalculationUse when when generating synthetic LC/GC-MS .mzML files with companionVotes: 0GitHub stars: 16