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Scientific computing and academic tools.

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computational-chemistry
471

bio-proteomics-spectral-libraries

Build, manage, and search spectral libraries for proteomics. Use when creating or working with spectral libraries for DIA analysis. Covers DDA-based library generation, predicted libraries (Prosit, DeepLC), and library formats.

GPTomics
GPTomics
research
open
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
research
open
scientific-computing
471

bio-read-qc-contamination-screening

Detect sample contamination and cross-species reads using FastQ Screen. Screen reads against multiple reference genomes to identify bacterial, viral, adapter, or sample swap contamination. Use when suspecting cross-contamination or working with samples prone to microbial contamination.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-alignment-msa-parsing

Parse and analyze multiple sequence alignments using Biopython. Extract sequences, identify conserved regions, analyze gaps, work with annotations, and manipulate alignment data for downstream analysis. Use when parsing or manipulating multiple sequence alignments.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-epitranscriptomics-merip-preprocessing

Align and QC MeRIP-seq IP and input samples for m6A analysis. Use when preparing MeRIP-seq data for peak calling or differential methylation analysis.

GPTomics
GPTomics
research
open
computational-chemistry
471

bio-metabolomics-targeted-analysis

Targeted metabolomics analysis using MRM/SRM with standard curves. Covers absolute quantification, method validation, and quality assessment. Use when quantifying specific metabolites using calibration curves and internal standards.

GPTomics
GPTomics
research
open
computational-chemistry
471

bio-metabolomics-metabolite-annotation

Metabolite identification from m/z and retention time. Covers database matching, MS/MS spectral matching, and confidence level assignment. Use when assigning compound identities to detected features in untargeted metabolomics.

GPTomics
GPTomics
research
open
computational-chemistry
471

bio-metabolomics-msdial-preprocessing

MS-DIAL-based metabolomics preprocessing as alternative to XCMS. Covers peak detection, alignment, annotation, and export for downstream analysis. Use when processing MS-DIAL output files for R/Python analysis or when preferring GUI-based preprocessing.

GPTomics
GPTomics
research
open
computational-chemistry
471

bio-admet-prediction

Predicts ADMET properties using ADMETlab 3.0 API or DeepChem models. Estimates bioavailability, CYP inhibition, hERG liability, and 119 toxicity endpoints with uncertainty quantification. Filters for PAINS and other structural alerts. Use when filtering compounds for drug-likeness or prioritizing leads by predicted safety.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-temporal-genomics-periodicity-detection

Discovers periodic signals of unknown period in time-series omics data using Lomb-Scargle periodograms (scipy), autocorrelation, and wavelet time-frequency decomposition (pywt). Identifies dominant frequencies, handles irregularly sampled data, and detects transient periodicity. Use when searching for periodic patterns of unknown period length, analyzing cell cycle oscillations, or processing unevenly spaced time-series. Not for testing known 24-hour rhythms (see temporal-genomics/circadian-rhythms).

GPTomics
GPTomics
research
open
scientific-computing
471

bio-tcr-bcr-analysis-mixcr-analysis

Perform V(D)J alignment and clonotype assembly from TCR-seq or BCR-seq data using MiXCR. Use when processing raw immune repertoire sequencing data to identify clonotypes and their frequencies.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-spatial-transcriptomics-spatial-statistics

Compute spatial statistics for spatial transcriptomics data using Squidpy. Calculate Moran's I, Geary's C, spatial autocorrelation, co-occurrence analysis, and neighborhood enrichment. Use when computing spatial autocorrelation or co-occurrence statistics.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-workflows-smrna-pipeline

End-to-end small RNA-seq analysis from FASTQ to differential miRNA expression. Use when analyzing miRNA, piRNA, or other small RNA sequencing data.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-workflows-rnaseq-to-de

End-to-end RNA-seq workflow from FASTQ files to differential expression results. Covers QC, quantification (Salmon or STAR+featureCounts), and DESeq2 analysis with visualization. Use when running RNA-seq from FASTQ to DE results.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-phylo-divergence-dating

Estimate divergence times using molecular clock models with BEAST2, MCMCTree, and TreePL. Use when dating speciation events, calibrating phylogenies with fossils, choosing between strict and relaxed clock models, or estimating evolutionary rates across lineages.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-metabolomics-statistical-analysis

Statistical analysis for metabolomics data. Covers preprocessing (log2 transformation, normalization), limma moderated testing with empirical Bayes, Welch's t-tests with BH correction, fold change estimation, and multivariate methods (PCA, PLS-DA, OPLS-DA). Use when identifying differentially abundant metabolites or building classification models.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-blast-searches

Run remote BLAST searches against NCBI databases using Biopython Bio.Blast. Use when identifying unknown sequences, finding homologs, or searching for sequence similarity against NCBI's nr/nt databases.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-data-visualization-genome-browser-tracks

Generate genome browser visualizations using pyGenomeTracks or IGV batch scripting for publication figures. Use when creating publication figures of genomic regions with multiple data tracks.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-sequence-similarity

Find homologous sequences using iterative BLAST (PSI-BLAST), profile HMMs (HMMER), and reciprocal best hit analysis. Use when identifying orthologs, distant homologs, or protein family members where standard BLAST is not sensitive enough.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-workflows-hic-pipeline

End-to-end Hi-C analysis workflow from contact pairs to compartments, TADs, and loops. Covers cooler matrices, cooltools analysis, and visualization. Use when processing Hi-C data to compartments and TADs.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-workflows-riboseq-pipeline

End-to-end Ribo-seq analysis from FASTQ to translation efficiency and ORF detection. Use when analyzing ribosome profiling data to study translation.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-multi-omics-data-harmonization

Preprocessing and harmonization of multi-omics data before integration. Covers normalization, batch correction, feature alignment, and missing value handling across data types. Use when preparing multi-omics datasets for integration analysis.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-microbiome-functional-prediction

Predict metagenome functional content from 16S rRNA marker gene data using PICRUSt2. Infer KEGG, MetaCyc, and EC abundances from ASV tables. Use when functional profiling is needed from 16S data without shotgun metagenomics sequencing.

GPTomics
GPTomics
research
open
scientific-computing
471

bio-restriction-fragment-analysis

Analyze restriction digest fragments using Biopython Bio.Restriction. Predict fragment sizes, get fragment sequences, simulate gel electrophoresis patterns, and perform double digests. Use when analyzing restriction digest fragment patterns.

GPTomics
GPTomics
research
open
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