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Science Comp.

Simulation and numerical analysis.

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scientific-computing
471

bio-microbiome-qiime2-workflow

QIIME2 command-line workflow for 16S/ITS amplicon analysis. Alternative to DADA2/phyloseq R workflow with built-in provenance tracking. Use when preferring CLI over R, needing reproducible provenance, or working within QIIME2 ecosystem.

GPTomics
GPTomics
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scientific-computing
471

bio-workflows-genome-annotation-pipeline

End-to-end genome annotation pipeline from assembled contigs to functional annotation, covering repeat masking, gene prediction, and functional assignment for both prokaryotic and eukaryotic genomes. Use when annotating a newly assembled genome from scratch.

GPTomics
GPTomics
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scientific-computing
471

bio-primer-design-primer-basics

Design PCR primers for a target sequence using primer3-py. Specify target regions, product size, melting temperature, and other constraints. Returns ranked primer pairs with quality metrics. Use when designing standard PCR primers.

GPTomics
GPTomics
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scientific-computing
471

bio-genome-annotation-repeat-annotation

Identify and classify repetitive elements and transposable elements using RepeatModeler for de novo repeat library construction and RepeatMasker for genome-wide repeat annotation. Quantify TE expression from RNA-seq with TEtranscripts. Use when masking repeats before gene prediction or analyzing transposable element activity.

GPTomics
GPTomics
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scientific-computing
471

bio-sequence-statistics

Calculate sequence statistics (N50, length distribution, GC content, summary reports) using Biopython. Use when analyzing sequence datasets, generating QC reports, or comparing assemblies.

GPTomics
GPTomics
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scientific-computing
471

bio-genome-annotation-ncrna-annotation

Identify non-coding RNAs including tRNAs, rRNAs, snoRNAs, and regulatory RNAs using Infernal covariance model searches against Rfam and tRNAscan-SE for tRNA prediction. Use when performing genome-wide ncRNA annotation with assembly input producing GFF output.

GPTomics
GPTomics
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scientific-computing
471

bio-motif-search

Find patterns, motifs, and subsequences in biological sequences using Biopython. Use when searching for transcription factor binding sites, regulatory elements, or any sequence pattern. For restriction enzyme analysis, use the restriction-analysis skill.

GPTomics
GPTomics
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scientific-computing
471

bio-genome-annotation-functional-annotation

Assign GO terms, KEGG orthologs, Pfam domains, and EC numbers to predicted proteins using eggNOG-mapper and InterProScan. Produces functional summaries for downstream pathway and enrichment analysis. Use when adding functional annotation to predicted genes or characterizing protein functions in a new genome.

GPTomics
GPTomics
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scientific-computing
471

bio-genome-assembly-contamination-detection

Detect contamination and assess genome quality using CheckM, CheckM2, GTDB-Tk, and GUNC for metagenome-assembled genomes and isolate assemblies. Use when checking assemblies for contamination.

GPTomics
GPTomics
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scientific-computing
471

bio-flow-cytometry-fcs-handling

Read and manipulate Flow Cytometry Standard (FCS) files. Covers loading data, accessing parameters, and basic data exploration. Use when loading and inspecting flow or mass cytometry data before preprocessing.

GPTomics
GPTomics
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scientific-computing
471

bio-variant-calling-deepvariant

Deep learning-based variant calling with Google DeepVariant. Provides high accuracy for germline SNPs and indels from Illumina, PacBio, and ONT data. Use when calling variants with DeepVariant deep learning caller or when highest germline calling accuracy is required.

GPTomics
GPTomics
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scientific-computing
471

bio-chipseq-differential-binding

Identifies differentially bound ChIP-seq regions between conditions using DiffBind (from BAMs), DESeq2, or PyDESeq2 (from count matrices). Handles normalization, statistical testing, and fold-change estimation with ChIP-seq-specific considerations. Use when comparing ChIP-seq binding between experimental conditions.

GPTomics
GPTomics
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scientific-computing
471

bio-data-visualization-genome-tracks

Create genome browser-style visualizations showing multiple data tracks (coverage, peaks, genes) using pyGenomeTracks, Gviz, and IGV. Use when visualizing genomic data at specific loci with multiple aligned tracks.

GPTomics
GPTomics
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scientific-computing
471

bio-variant-annotation

Comprehensive variant annotation using bcftools annotate/csq, VEP, SnpEff, and ANNOVAR. Add database annotations, predict functional consequences, and assess clinical significance with MANE transcript selection and pathogenicity scoring. Use when annotating variants with functional and clinical information.

GPTomics
GPTomics
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scientific-computing
471

bio-pdb-structure-navigation

Navigate protein structure hierarchy using Biopython Bio.PDB SMCRA model. Use when accessing models, chains, residues, and atoms, iterating over structure levels, or extracting sequences from PDB files.

GPTomics
GPTomics
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scientific-computing
471

bio-pdb-geometric-analysis

Perform geometric calculations on protein structures using Biopython Bio.PDB. Use when measuring distances, angles, and dihedrals, superimposing structures, calculating RMSD, or computing solvent accessible surface area (SASA).

GPTomics
GPTomics
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scientific-computing
471

bio-structural-biology-alphafold-predictions

Access and analyze AlphaFold protein structure predictions. Use when predicted structures are needed for proteins without experimental structures, or for confidence scores (pLDDT).

GPTomics
GPTomics
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scientific-computing
471

bio-structural-biology-modern-structure-prediction

Predict protein structures using modern ML models including AlphaFold3, ESMFold, Chai-1, and Boltz-1. Use when predicting structures for novel proteins, protein complexes, or when comparing predictions across multiple methods.

GPTomics
GPTomics
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scientific-computing
471

bio-systems-biology-gene-essentiality

Perform in silico gene knockout analysis and synthetic lethality screens using COBRApy single and double deletions. Predict essential genes and identify synthetic lethal pairs for drug target discovery. Use when identifying essential genes or finding synthetic lethal drug targets.

GPTomics
GPTomics
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scientific-computing
471

bio-machine-learning-atlas-mapping

Maps query single-cell data to reference atlases using scArches transfer learning with scVI and scANVI models. Transfers cell type labels without retraining on combined data. Use when annotating new single-cell datasets using pre-trained reference models.

GPTomics
GPTomics
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scientific-computing
471

bio-single-cell-clustering

Dimensionality reduction and clustering for single-cell RNA-seq using Seurat (R) and Scanpy (Python). Use for running PCA, computing neighbors, clustering with Leiden/Louvain algorithms, generating UMAP/tSNE embeddings, and visualizing clusters. Use when performing dimensionality reduction and clustering on single-cell data.

GPTomics
GPTomics
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scientific-computing
471

bio-transcription-translation

Transcribe DNA to RNA and translate to protein using Biopython. Use when converting between DNA, RNA, and protein sequences, finding ORFs, or using alternative codon tables.

GPTomics
GPTomics
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scientific-computing
471

bio-single-cell-batch-integration

Integrate multiple scRNA-seq samples/batches using Harmony, scVI, Seurat anchors, and fastMNN. Remove technical variation while preserving biological differences. Use when integrating multiple scRNA-seq batches or datasets.

GPTomics
GPTomics
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scientific-computing
471

bio-hi-c-analysis-contact-pairs

Process Hi-C read pairs using pairtools. Parse alignments, filter duplicates, classify pairs, and generate contact statistics from Hi-C sequencing data. Use when processing raw Hi-C read pairs.

GPTomics
GPTomics
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