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Science Comp.

Simulation and numerical analysis.

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scientific-computing
471

bio-codon-usage

Analyze codon usage, calculate CAI (Codon Adaptation Index), and examine synonymous codon bias using Biopython. Use when analyzing coding sequences for expression optimization or evolutionary analysis.

GPTomics
GPTomics
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open
scientific-computing
471

bio-single-cell-data-io

Read, write, and create single-cell data objects using Seurat (R) and Scanpy (Python). Use for loading 10X Genomics data, importing/exporting h5ad and RDS files, creating Seurat objects and AnnData objects, and converting between formats. Use when loading, saving, or converting single-cell data formats.

GPTomics
GPTomics
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scientific-computing
471

bio-hi-c-analysis-hic-data-io

Load, convert, and manipulate Hi-C contact matrices using cooler format. Read .cool/.mcool files, convert from .hic format, access matrix data, and export to different formats. Use when loading or converting Hi-C contact matrices.

GPTomics
GPTomics
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scientific-computing
471

bio-fragment-analysis

Analyzes cfDNA fragment size distributions and fragmentomics features using FinaleToolkit or Griffin. Extracts nucleosome positioning patterns, fragment ratios, and DELFI-style fragmentation profiles for cancer detection. Use when leveraging fragment patterns for tumor detection or tissue-of-origin analysis.

GPTomics
GPTomics
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scientific-computing
471

bio-data-visualization-network-visualization

Visualize biological networks including gene regulatory networks, protein interaction networks, and co-expression modules using NetworkX, PyVis, and Cytoscape automation. Produces interactive and publication-quality network figures. Use when creating network diagrams from interaction data, GRN results, or co-expression modules.

GPTomics
GPTomics
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scientific-computing
471

bio-primer-design-qpcr-primers

Design qPCR primers and TaqMan/molecular beacon probes using primer3-py. Configure probe Tm, primer-probe spacing, and hydrolysis probe constraints for real-time PCR assays. Use when designing qPCR primers and probes.

GPTomics
GPTomics
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scientific-computing
471

bio-primer-design-primer-validation

Validate PCR primers for specificity, dimers, hairpins, and secondary structures using primer3-py thermodynamic calculations. Check self-complementarity, heterodimer formation, and 3' stability. Use when validating primer specificity and properties.

GPTomics
GPTomics
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scientific-computing
471

bio-hi-c-analysis-tad-detection

Call topologically associating domains (TADs) from Hi-C data using insulation score, HiCExplorer, and other methods. Identify domain boundaries and hierarchical domain structure. Use when calling TADs from Hi-C insulation scores.

GPTomics
GPTomics
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scientific-computing
471

bio-hi-c-analysis-hic-differential

Compare Hi-C contact matrices between conditions to identify differential chromatin interactions. Compute log2 fold changes, statistical significance, and visualize differential contact maps. Use when comparing Hi-C contacts between conditions.

GPTomics
GPTomics
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scientific-computing
471

bio-hi-c-analysis-loop-calling

Detect chromatin loops and point interactions from Hi-C data using cooltools, chromosight, and HiCCUPS-like methods. Identify CTCF-mediated loops and enhancer-promoter contacts. Use when detecting chromatin loops from Hi-C data.

GPTomics
GPTomics
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scientific-computing
471

bio-tcr-bcr-analysis-vdjtools-analysis

Calculate immune repertoire diversity metrics, compare samples, and track clonal dynamics using VDJtools. Use when analyzing repertoire diversity, finding shared clonotypes, or comparing immune profiles between conditions.

GPTomics
GPTomics
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scientific-computing
471

bio-clinical-databases-pharmacogenomics

Query PharmGKB and CPIC for drug-gene interactions, pharmacogenomic annotations, and dosing guidelines. Use when predicting drug response from genetic variants or implementing clinical pharmacogenomics.

GPTomics
GPTomics
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scientific-computing
471

bio-systems-biology-model-curation

Validate, gap-fill, and curate genome-scale metabolic models using memote for quality scores and COBRApy for manual curation. Ensure models meet SBML standards and produce biologically meaningful predictions. Use when improving draft models or preparing models for publication.

GPTomics
GPTomics
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scientific-computing
471

bio-uniprot-access

Access UniProt protein database for sequences, annotations, and functional information. Use when retrieving protein data, GO terms, domain annotations, or protein-protein interactions.

GPTomics
GPTomics
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scientific-computing
471

bio-proteomics-data-import

Load and parse mass spectrometry data formats including mzML, mzXML, and quantification tool outputs like MaxQuant proteinGroups.txt. Use when starting a proteomics analysis with raw or processed MS data. Handles contaminant filtering and missing value assessment.

GPTomics
GPTomics
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scientific-computing
471

bio-systems-biology-metabolic-reconstruction

Build genome-scale metabolic models from genome sequences using CarveMe and gapseq for automated reconstruction. Generate draft models ready for curation and analysis. Use when creating metabolic models for organisms without existing models.

GPTomics
GPTomics
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scientific-computing
471

bio-molecular-descriptors

Calculates molecular descriptors and fingerprints using RDKit. Computes Morgan fingerprints (ECFP), MACCS keys, Lipinski properties, QED drug-likeness, TPSA, and 3D conformer descriptors. Use when featurizing molecules for machine learning or filtering by drug-likeness criteria.

GPTomics
GPTomics
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scientific-computing
471

bio-alignment-msa-statistics

Calculate alignment statistics including sequence identity, conservation scores, substitution matrices, and similarity metrics. Use when comparing alignment quality, measuring sequence divergence, and analyzing evolutionary patterns.

GPTomics
GPTomics
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open
scientific-computing
471

bio-long-read-sequencing-nanopore-methylation

Calls DNA methylation from Oxford Nanopore sequencing data using signal-level analysis. Use when detecting 5mC or 6mA modifications directly from nanopore reads without bisulfite conversion.

GPTomics
GPTomics
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scientific-computing
471

bio-genome-annotation-prokaryotic-annotation

Annotate bacterial and archaeal genomes with Bakta for comprehensive structural and functional annotation, or Prokka for lightweight annotation. Generates GFF3, GenBank, and FASTA outputs with NCBI-compatible locus tags. Use when annotating a newly assembled prokaryotic genome or preparing annotations for NCBI submission.

GPTomics
GPTomics
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scientific-computing
471

bio-workflows-proteomics-pipeline

End-to-end proteomics workflow from MaxQuant output to differential protein abundance. Orchestrates data import, normalization, imputation, and statistical testing with limma (default) or MSstats for complex feature-level designs. Use when processing mass spectrometry proteomics.

GPTomics
GPTomics
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scientific-computing
471

bio-epitranscriptomics-m6anet-analysis

Detect m6A modifications from Oxford Nanopore direct RNA sequencing using m6Anet. Use when analyzing epitranscriptomic modifications from long-read RNA data without immunoprecipitation.

GPTomics
GPTomics
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scientific-computing
471

bio-sequence-properties

Calculate sequence properties like GC content, molecular weight, isoelectric point, and GC skew using Biopython. Use when analyzing sequence composition, computing physical properties, or comparing sequences.

GPTomics
GPTomics
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scientific-computing
471

bio-small-rna-seq-differential-mirna

Perform differential expression analysis of miRNAs between conditions using DESeq2 or edgeR with small RNA-specific considerations. Use when identifying miRNAs that change between treatment groups, disease states, or developmental stages.

GPTomics
GPTomics
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