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HolobiomicsLab

@holobiomicslab source repo

10,836 published skills · page 94 of 109

  1. ▌
    Arrival Time To Ccs Conversion · holobiomicslab
    Use when when you have raw TWIM-MS arrival-time data and need to transform it into absolute CCS values for downstream biomolecular class assignment or comparative analysis.
    2 installs
  2. ▌
    Artifact Checksum Verification · holobiomicslab
    Use when when reproducing a prior software release (especially one generated by automated versioning tools like Semantic Release), you need to confirm that the artifacts produced in your environment match the original release byte-for-byte.
    0 installs
  3. ▌
    Asynchronous API Orchestration · holobiomicslab
    Use when you have a batch of mass spectra records in .msp format that lack standardized metadata fields (SMILES, InChI, CAS numbers, molecular formula, IUPAC names) and need to populate them by querying multiple independent web APIs in parallel.
    0 installs
  4. ▌
    Asynchronous Event Aggregation · holobiomicslab
    Use when your workflow fetches data from multiple external web services (e.g., CIR, CTS, PubChem, IDSM, BridgeDb) asynchronously and you need to track which services are available, how often they fail, and their response latencies during a long-running annotation job.
    0 installs
  5. ▌
    Biomolecular Class Ccs Mapping · holobiomicslab
    Use when after biomolecular class labels have been assigned to features in a TWIM-MS dataset and you have raw ion mobility arrival time measurements. Use it when you need to convert arrival times to standardized CCS values where calibration accuracy depends critically on the biomolecular class (e.
    0 installs
  6. ▌
    Class Specific Ccs Calculation · holobiomicslab
    Use when when you have multi-omic TWIM-MS data (raw or processed arrival-time records) and have already assigned features or detected ion features to biomolecular classes (e.
    0 installs
  7. ▌
    Compressed File Header Parsing · holobiomicslab
    Use when you have a large indexed gzip file (igz format) with metadata encoded in the gzip header comment field, and you need to retrieve specific blocks or spectra by integer index without decompressing the entire file.
    0 installs
  8. ▌
    Cross Dataset Feature Matching · holobiomicslab
    Use when you have two or more feature tables in HDF5 format with detected features characterized by m/z, drift time, retention time, and intensity, and you need to match corresponding features across samples to account for systematic shifts caused by instrument variation or tuning differences.
    0 installs
  9. ▌
    Docker Container Orchestration · holobiomicslab
    Use when when you have .mzML or .abf LC-HRMS raw data files that require MS-DIAL-based feature detection, chromatogram alignment, and metabolite identification, and you need to ensure reproducibility across local machines, cloud, and HPC systems without manual tool installation and dependency.
    0 installs
  10. ▌
    False Positive Rate Assessment · holobiomicslab
    Use when you have run ORA on simulated metabolite sets with known null conditions (no true pathway enrichment) and need to measure how detection coverage, pathway database size, or other experimental parameters inflate Type I error rates.
    0 installs
  11. ▌
    Frequency Distribution Binning · holobiomicslab
    Use when you have loaded a table of entity–attribute pairs (e.
    0 installs
  12. ▌
    Github Actions API Integration · holobiomicslab
    Use when when you need to verify that a GitHub Actions workflow (such as a development build or release pipeline) executes without fatal errors and produces expected artifacts. Use this skill when the workflow is already configured in a repository (e.g., a .yml file in .
    2 installs
  13. ▌
    Hdf5 Format Support Validation · holobiomicslab
    Use when when you need to work with mzMLb (HDF5-based) proteomics data in pyteomics and want to confirm that the required h5py and hdf5plugin libraries are installed and accessible, or when troubleshooting ImportError or missing format handler issues related to mzMLb modules.
    0 installs
  14. ▌
    HTTP Connectivity Verification · holobiomicslab
    Use when you need to confirm that a documented web service URL is live and reachable before attempting to submit analysis jobs, download results, or integrate the service into an automated pipeline. Use it as a prerequisite check when the service documentation claims academic or public availability.
    1 install
  15. ▌
    Java Build Artifact Validation · holobiomicslab
    Use when when you need to verify that a Java project's automated build pipeline (GitHub Actions workflow) executes without errors and generates distributable artifacts (e.g., .deb installers, portable binaries, or .jar files).
    0 installs
  16. ▌
    JSON Validation And Formatting · holobiomicslab
    Use when after enriching a project JSON document with external metadata (e.g., organism names, genome identifiers) or before writing enriched JSON to disk.
    0 installs
  17. ▌
    Keras Model Conversion To Hdf5 · holobiomicslab
    Use when you have pre-trained Keras models from the NP-Classifier repository that must be deployed via TensorFlow Serving and need to expose standardized input/output layer names ('input_2048', 'input_4096', 'output') for integration with the classification API.
    1 install
  18. ▌
    Mass Fragment Pattern Querying · holobiomicslab
    Use when after LDA modeling has produced an inferred motifset (JSON format) containing Mass2Motifs with fragment and neutral-loss patterns.
    0 installs
  19. ▌
    Metabolite Coverage Simulation · holobiomicslab
    Use when designing or validating a metabolomics pathway analysis experiment, especially when you have uncertainty about how many metabolites your detection platform will reliably measure relative to a pathway database. Use it if you want to understand whether your expected metabolite coverage (e.
    2 installs
  20. ▌
    Ms Data Constraint Enforcement · holobiomicslab
    Use when implementing or validating a new MsBackend class that stores m/z and intensity values, or when assigning peak data to an existing backend. Triggers include: (1) implementing a replacement method (e.g., mz<- or intensity<-) for a backend class;
    0 installs
  21. ▌
    Organism Dictionary Enrichment · holobiomicslab
    Use when after organism names have been cleaned and standardized (e.g., via 1_cleaningOriginal.R and 4_cleaningTaxonomy.R) but before final integration of organism, structure, and reference data. Use it when you have a cleaned organism table (interim/tables/2_cleaned/organism/cleaned.tsv.
    0 installs
  22. ▌
    Pathway Level Activity Scoring · holobiomicslab
    Use when you have a metabolite intensity matrix (samples × metabolites) with assigned annotations (peak IDs mapped to KEGG or ChEBI compound IDs), a metabolic pathway database, and need to rank pathways by activity level within experimental groups or comparisons.
    2 installs
  23. ▌
    Python Async Method Definition · holobiomicslab
    Use when when extending MSMetaEnhancer with a new local chemical transformation (e.g., SMILES to InChI) that should execute non-blockingly within an asynchronous annotation workflow.
    0 installs
  24. ▌
    Quality Overview Visualization · holobiomicslab
    Use when you have sequential QCpool (pooled quality control) samples analyzed with Sciex Multiquant (≥v3.0.
    0 installs
  25. ▌
    R Internal Function Invocation · holobiomicslab
    Use when when you need to verify or retrieve package-internal metadata about compiled .NET assembly location and version before processing raw mass spectrometry files, or when testing the R↔C# dispatch mechanism in isolation without loading actual Orbitrap .raw data files.
    0 installs
  26. ▌
    Repository Metadata Extraction · holobiomicslab
    Use when when you need to inventory a collection of related web applications or tools distributed across multiple repositories, discover their live deployment URLs, trace their associated publications, and verify accessibility and metadata completeness.
    0 installs
  27. ▌
    Semantic Versioning Validation · holobiomicslab
    Use when when you need to confirm that a generated or retrieved release artifact from a version control system (e.g., git tag v1.0.0) produces byte-for-byte or functionally equivalent outputs to the official release published on a platform (e.g., GitHub Releases) on a specific date.
    0 installs
  28. ▌
    Simulation Parameter Variation · holobiomicslab
    Use when when you have a computational simulation framework (e.
    0 installs
  29. ▌
    Spectral Data Table Conversion · holobiomicslab
    Use when when you have mzPeak format spectrum files and need to work with spectrum metadata, intensity/m/z arrays, or precursor information in a tabular, columnar, or vectorized computing environment.
    0 installs
  30. ▌
    Spectrum Feature Vectorization · holobiomicslab
    Use when you have raw mass spectrometry spectra (peak lists or intensity arrays) that must be fed into a pre-trained deep learning model for substance classification (e.g., PS²MS for NPS detection).
    0 installs
  31. ▌
    Structural Type Categorization · holobiomicslab
    Use when when you have a set of query chemical compounds (by name or SMILES) and a reference library organized into named groups (e.
    2 installs
  32. ▌
    Taxonomic Metadata Integration · holobiomicslab
    Use when after organism name cleaning and standardization (via 1_cleaningOriginal.R and 4_cleaningTaxonomy.R) has produced a cleaned organism table (interim/tables/2_cleaned/organism/cleaned.tsv.gz), apply this skill to map those cleaned names to Open Tree of Life (OTL) identifiers.
    0 installs
  33. ▌
    Test Suite Pass Fail Reporting · holobiomicslab
    Use when when you need to verify that a research software package (e.g., MassQL) maintains functional correctness over time, assess the reliability of a tool before integration into a workflow, or document test coverage and failure modes for reproducibility.
    0 installs
  34. ▌
    Time Domain Signal Apodization · holobiomicslab
    Use when working with raw FT-ICR transient data (e.g., ESI_NEG_SRFA.d format) prior to noise thresholding and mass-domain calibration.
    0 installs
  35. ▌
    Url Format Constraint Checking · holobiomicslab
    Use when ingesting or validating project JSON documents against a schema (such as app/public/schema.json in the Pairing Omics Data Platform) that designates certain fields as URL type (e.
    0 installs
  36. ▌
    Whitespace Character Detection · holobiomicslab
    Use when validating project JSON documents against the platform's schema (app/public/schema.json) and you need to ensure all URL-type fields conform to URL syntax rules. Specifically, use it when the schema designates certain fields as URL type (e.
    0 installs
  37. ▌
    Adduct Mass Difference Ranking · holobiomicslab
    Use when you have computed a histogram of mass differences from all pairwise mass comparisons in your MALDI-MS imaging dataset and need to prioritize which mass differences are most frequent and likely represent genuine molecular adducts (e.g., metabolite + matrix ions) rather than noise.
    0 installs
  38. ▌
    Backend Performance Comparison · holobiomicslab
    Use when you have execution-time metrics (from a benchmark table or profiling logs) across multiple visualization backends for the same set of plots (e.
    1 install
  39. ▌
    Batch Effect Visualization Pca · holobiomicslab
    Use when after applying CordBat batch correction to a log2-transformed metabolite matrix from multi-batch metabolomics data, you want to quantitatively and visually assess whether the correction successfully reduced batch effects.
    2 installs
  40. ▌
    Batch Level Quality Inspection · holobiomicslab
    Use when after loading a raw metabolomics data matrix (samples × features in CSV format, log2-normalized with batch labels in the first column) and before selecting a batch correction model.
    0 installs
  41. ▌
    Batch Spectrum Quality Control · holobiomicslab
    Use when when ingesting spectra from multiple open mass spectrometry libraries (OMSLs) in .mgf, .msp, .json, or .csv format and you observe mixed experimental protocols, inconsistent adduct annotations, or partial metadata.
    0 installs
  42. ▌
    Biochemical Annotation Mapping · holobiomicslab
    Use when you have loaded MSI data into napari, defined one or more ROIs of biological interest (e.g., tumor margin, specific tissue layer), extracted mean or summed intensity spectra from those regions, and need to identify the putative biochemical compounds corresponding to detected m/z peaks.
    0 installs
  43. ▌
    Calibration Quality Assessment · holobiomicslab
    Use when after applying polynomial m/z domain recalibration using a reference peak list (e.g., SRFA.ref) to a Bruker FT-ICR dataset. Use this skill to verify that calibration has converged and that mass error statistics support reliable downstream annotation.
    0 installs
  44. ▌
    Chemical Descriptor Extraction · holobiomicslab
    Use when you have standardized molecular structures (SMILES or SDF format) and need to generate a uniform feature matrix for machine learning models (e.g., retention time prediction).
    2 installs
  45. ▌
    Classyfire Taxonomy Assignment · holobiomicslab
    Use when after molecular structures have been standardized (e.g., via PubChem standardization) and you need to enrich them with chemical taxonomy labels for cohort stratification, chemical space analysis, or retention time prediction model development.
    0 installs
  46. ▌
    Column Header Keyword Matching · holobiomicslab
    Use when importing a new delimited data file (CSV, semicolon-separated, or other formats) into Punc'data that contains high-resolution mass spectrometry results.
    2 installs
  47. ▌
    Command Line Interface Testing · holobiomicslab
    Use when after installing a Python package or before running a computational workflow for the first time, to verify that the CLI entry point is properly configured, the Python environment is correctly set up, and to discover available command-line arguments and their defaults (e.
    0 installs
  48. ▌
    Command Line Tool Verification · holobiomicslab
    Use when after installing a command-line bioinformatics tool (e.g., via pip, conda, or package manager) and before attempting to use it on experimental data.
    0 installs
  49. ▌
    Compound Identifier Extraction · holobiomicslab
    Use when when you receive a raw query string destined for the ClassyFire API and need to distinguish between a user-supplied compound identifier (e.g., a database accession or common name) and the actual chemical structure representation (SMILES, InChI, IAPNIC name, or FASTA sequence).
    2 installs
  50. ▌
    Container Runtime Verification · holobiomicslab
    Use when when deploying a containerized application (e.g., ipbhalle/metfragweb) with injected configuration files via Docker volume mounts, and you need to confirm that the container accepted the mounted file and applied its settings before proceeding with downstream analysis or services.
    0 installs
  51. ▌
    Converter Output Schema Design · holobiomicslab
    Use when when integrating multiple heterogeneous metadata services (e.g., CIR, CTS, PubChem, IDSM, BridgeDb) that return unstructured or variably-formatted responses, and you need to enforce uniform output contracts before committing fetched values to mass spectra files (.msp format).
    0 installs
  52. ▌
    Converter Registry Enumeration · holobiomicslab
    Use when you need to expose all supported metadata conversion options in a tool interface (e.g., Galaxy tool form, CLI argument parser, or API endpoint) and want to avoid hard-coding conversion paths.
    0 installs
  53. ▌
    Cross Modal Alignment Training · holobiomicslab
    Use when after completing pretraining and fine-tuning stages when you have a checkpoint with task-specific performance but need to improve cross-modal consistency.
    0 installs
  54. ▌
    Cross Platform Build Targeting · holobiomicslab
    Use when you have a Windows-only .NET Framework application that must run on non-Windows hosts (macOS or Linux), and you need reproducible, isolated execution with support for both interactive GUI and batch CLI workflows.
    0 installs
  55. ▌
    Data Ingestion Pipeline Design · holobiomicslab
    Use when when building a platform that must accept raw MS data files (e.g., .raw, .mzML, .mzXML) from instrument runs or external sources as the first stage of an automated omics workflow.
    0 installs
  56. ▌
    Deep Learning Layer Inspection · holobiomicslab
    Use when when you have downloaded pre-trained Keras models and need to confirm their layer naming and structure conform to requirements for TensorFlow Serving or other deployment pipelines—specifically before converting to HDF5 format or integrating into a production API that expects fixed.
    0 installs
  57. ▌
    Dependency Management With Pip · holobiomicslab
    Use when when you have cloned a Python package repository and need to verify that the package and its test suite can be installed and executed locally, or when preparing to contribute code changes that must pass the project's test suite before submission.
    0 installs
  58. ▌
    Dependency Manifest Extraction · holobiomicslab
    Use when a bioinformatics package claims to install a large number of tools (e.g., ~89 for untargeted metabolomics pipelines) but the article or main documentation does not enumerate them explicitly.
    0 installs
  59. ▌
    Directory Structure Validation · holobiomicslab
    Use when after editing core R scripts in the Core-Match repository and before running LipidMatch-4.2 analysis, to verify that developer modifications have been correctly distributed across the Flow version (LipidMatch_Distribution) and Modular version (FluoroMatch_Modular) directory trees.
    0 installs
  60. ▌
    Embedding Space Representation · holobiomicslab
    Use when you have pairs or triplets of MS/MS spectra with associated metadata (compound structural information, Tanimoto similarity scores) and want to learn embeddings that simultaneously preserve spectral similarity relationships and reconstruct peak intensities.
    0 installs
  61. ▌
    Execution Time Metric Analysis · holobiomicslab
    Use when you have computation-time metrics from a gallery or benchmark suite comparing multiple plotting backends on the same data types (e.
    0 installs
  62. ▌
    Feature Alignment Metabolomics · holobiomicslab
    Use when you have detected multiple ion peaks from replicate injections of the same sample in untargeted metabolomics and need to consolidate them into a single feature table.
    0 installs
  63. ▌
    Feature Intensity Thresholding · holobiomicslab
    Use when after feature extraction from mzML/mzXML files when you have identified candidate peaks in breath spectrometry data but need to separate true VOC signals from instrument noise.
    0 installs
  64. ▌
    File Compression And Archiving · holobiomicslab
    Use when when a spectral processing operation produces multiple output artifacts in different formats (e.
    2 installs
  65. ▌
    File Format Handling CSV Excel · holobiomicslab
    Use when you have molecular descriptor data in CSV or EXCEL format and need to pass it to BitterPredict.m or another descriptor-based classifier.
    0 installs
  66. ▌
    Fixed Modification Propagation · holobiomicslab
    Use when your search engine output (PSM file) omits fixed modifications that were configured during the search (e.
    0 installs
  67. ▌
    Format Agnostic Data Ingestion · holobiomicslab
    Use when when you have mass spectrometry data in multiple formats (mzML, mzXML) that must be fed into a compression, analysis, or transformation pipeline that operates on a single canonical spectral data model.
    0 installs
  68. ▌
    Formula Parsing And Evaluation · holobiomicslab
    Use when you have multiple open elemental images (e.g., P31, Zn66) from LA-ICP-MS and need to create a new derived image by evaluating a per-pixel mathematical expression. Typical triggers include: combining isotope ratios (e.
    3 installs
  69. ▌
    Ftms Mass Calibration Workflow · holobiomicslab
    Use when when you have a processed Bruker Solarix FT-ICR mass spectrum object (from ReadBrukerSolarix) and a reference peak list file (SRFA.
    2 installs
  70. ▌
    Generic Hdf5 Library API Usage · holobiomicslab
    Use when when you have converted multidimensional MS data to MZA HDF5 format and need to programmatically read spectra, metadata, and ion mobility or mass-to-charge arrays in Python or R without vendor-specific dependencies.
    2 installs
  71. ▌
    Git Branch Workflow Validation · holobiomicslab
    Use when when preparing to create a release branch in a Maven-based multi-module project (e.g., NMRFx), use this skill to verify that all pom.xml files in the repository tree declare identical version strings. This is a prerequisite for safe release-branch naming (e.g., release/X.Y.
    2 installs
  72. ▌
    Hash Function Parameterization · holobiomicslab
    Use when when you have normalized or vectorized mass spectrometry spectral data (m/z and intensity pairs converted to feature vectors) and need to construct an LSH index for fast nearest-neighbor retrieval of similar spectra.
    0 installs
  73. ▌
    HTTP Post Request Construction · holobiomicslab
    Use when you need to submit structured chemical compound data (identifiers and structural representations) to a remote REST API that accepts POST requests and returns JSON responses, particularly when the API requires tab-separated compound inputs separated by newlines and a query label as the.
    0 installs
  74. ▌
    Image Visualization Formatting · holobiomicslab
    Use when you have loaded a normalized or raw pixel array (NumPy format) with associated metadata from MSI line-scan data, and need to generate publication-quality ion images with controlled intensity scaling, smoothing, and optional ratio or fractional abundance comparisons across multiple m/z.
    0 installs
  75. ▌
    Intensity Color Representation · holobiomicslab
    Use when when visualizing 2D peak maps (x=m/z, y=retention time or ion mobility, z=intensity) using pyOpenMS-viz with any plotting backend (matplotlib, bokeh, plotly).
    2 installs
  76. ▌
    Java Diagnostic Tool Operation · holobiomicslab
    Use when when you have deployed a JVM application in a Docker container with JAVA_OPTS heap size parameters and need to verify that the maximum and initial heap sizes are correctly configured before running memory-intensive workflows like metabolite fragmentation analysis.
    0 installs
  77. ▌
    Java Maven Build Orchestration · holobiomicslab
    Use when when you have access to a Java project with a Maven pom.xml defining multiple interdependent modules (e.
    0 installs
  78. ▌
    Lexer Tokenizer Implementation · holobiomicslab
    Use when when you need to parse a domain-specific query language (like MassQL) into an abstract syntax tree (AST), and the query strings must be decomposed into discrete lexical units before syntactic analysis.
    2 installs
  79. ▌
    Lipid Class Feature Annotation · holobiomicslab
    Use when when loading lipidomics data (from Skyline CSV, numerical matrix, or Metabolomics Workbench) and encountering parsing warnings or molecules with names that do not follow standard lipid nomenclature patterns (e.
    0 installs
  80. ▌
    Lipid Identifier Normalization · holobiomicslab
    Use when when you have a list of lipids identified by different database identifiers (e.
    0 installs
  81. ▌
    Log Transformation Application · holobiomicslab
    Use when apply log-transformation immediately after loading a raw metabolomics featuredata matrix (metabolite peak intensities as rows=samples, columns=metabolites) and before normalization.
    0 installs
  82. ▌
    Lotus Metadata Standardization · holobiomicslab
    Use when you have raw compound or natural-product metadata in spreadsheet or tabular form with inconsistent column names, missing structure information, or when you need to query against the LOTUS natural-product database and suspect the local copy is stale or absent.
    0 installs
  83. ▌
    Low Energy Structure Selection · holobiomicslab
    Use when after generating an ensemble of 3D conformers via RDKit conformation sampling, when you need to reduce the conformer set size before expensive quantum-chemical calculations (e.g., QUICK).
    0 installs
  84. ▌
    M Z Value Ordering Enforcement · holobiomicslab
    Use when when implementing or modifying data replacement methods (e.g., `mz<-`, `peaksData<-`) in a writable MsBackend subclass, or when accepting user-supplied m/z vectors destined for storage in a Spectra backend.
    0 installs
  85. ▌
    Mass Error Tolerance Filtering · holobiomicslab
    Use when when annotating full-scan MS or MS imaging data against a metabolite database (e.g., LipidMaps, HMDB) and you need to control the stringency of m/z matching. Use this filter to balance annotation sensitivity against specificity: tighter ppm tolerances (e.
    0 installs
  86. ▌
    Mass Spectrum Peak Aggregation · holobiomicslab
    Use when you have a processed mass spectrum object with assigned molecular formulas for individual peaks and need to summarize peaks by their heteroatom composition—e.
    2 installs
  87. ▌
    Mass Spectrum Query Processing · holobiomicslab
    Use when you have an unknown mass spectrum (as m/z and intensity arrays) and need to identify candidate compounds by matching against a mass spectral library.
    0 installs
  88. ▌
    Matrix Data Structure Handling · holobiomicslab
    Use when after feature filtering has removed low-abundance or highly sparse metabolites (e.g., >80% missingness), and before applying missing value imputation or normalization.
    0 installs
  89. ▌
    Matrix Directive Field Mapping · holobiomicslab
    Use when you have extracted tabular data in intermediate JSON form and need to convert a table of records into a list of dictionaries (array of objects) where each row becomes a dictionary entry, optionally removing sensitive or irrelevant fields and normalizing all values to strings for downstream.
    0 installs
  90. ▌
    Matrix Multiplication Pipeline · holobiomicslab
    Use when after completing 10-fold cross-validated training of MiMeNet neural networks on paired microbiome-metabolome datasets and identifying well-predicted metabolites (those with Spearman correlation coefficient above the 95th percentile of background distribution).
    0 installs
  91. ▌
    Metabolomic Feature Imputation · holobiomicslab
    Use when when a preprocessed metabolomic feature table (e.g., MS-Dial output) retains features and samples that passed filtering for missingness thresholds and m/z validity, but still contain scattered missing values (NA). This skill is appropriate after sample-level filtering (e.
    1 install
  92. ▌
    Metaboprep Object Manipulation · holobiomicslab
    Use when you have imported raw (un)targeted metabolite data (from Metabolon, Nightingale, Olink, or SomaLogic platforms, or custom tab-delimited tables) and need to apply a uniform, reproducible QC and normalization pipeline.
    2 installs
  93. ▌
    Model Checkpoint Serialization · holobiomicslab
    Use when after successfully training a spectrum prediction model (FFN encoder, GNN encoder, intensity predictor, or fragment generator) to completion or at intermediate milestones, and before using that model for inference on test sets, structural elucidation queries, or transfer learning.
    0 installs
  94. ▌
    Module Assignment Biclustering · holobiomicslab
    Use when you have a trained neural network model of microbiome-metabolome associations and have derived a feature attribution score matrix (microbes × metabolites) quantifying the strength of each microbe-metabolite interaction.
    0 installs
  95. ▌
    Molecular Embedding Generation · holobiomicslab
    Use when when you have molecular structures (SMILES or explicit graph representations) and need fixed-size vector representations to feed into a prediction head or transfer learning task.
    2 installs
  96. ▌
    Molecular Structure Validation · holobiomicslab
    Use when ingesting SMILES strings from CSV or other bulk molecular input files before passing them to structure-based prediction tools.
    0 installs
  97. ▌
    Multiple Comparison Correction · holobiomicslab
    Use when after running ANOVA or G-test statistical analysis across multiple biomolecules in an omics dataset (e.
    0 installs
  98. ▌
    Mzml File Format Understanding · holobiomicslab
    Use when you have mass spectrometry raw data in mzML format (including compressed variants like mzML.
    0 installs
  99. ▌
    Network Node Attribute Mapping · holobiomicslab
    Use when you have a GLASSO-generated network graph and corresponding PCA scores from a prior dimensionality-reduction step, and you need to identify which nodes or sub-networks are associated with high or significant PCA scores.
    1 install
  100. ▌
    Neural Network Model Inference · holobiomicslab
    Use when you have pre-trained MSGO model weights (PFAS or lipid variant) and a set of experimental mass spectra (either from reference evaluation sets or real wastewater/environmental samples) in CSV format with m/z and intensity pairs, and you need to obtain candidate molecular structures ranked.
    0 installs