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Scientific computing and academic tools.

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scientific-computing
24

bio-metabolomics-normalization-qc

Quality control and normalization for metabolomics data. Covers QC-based correction, batch effect removal, and data transformation methods. Use when correcting technical variation in metabolomics data before statistical analysis.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-metabolomics-statistical-analysis

Statistical analysis for metabolomics data. Covers univariate testing, multivariate methods (PCA, PLS-DA), and biomarker discovery. Use when identifying differentially abundant metabolites or building classification models.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-metabolomics-xcms-preprocessing

XCMS3 workflow for LC-MS/MS metabolomics preprocessing. Covers peak detection, retention time alignment, correspondence (grouping), and gap filling. Use when processing raw LC-MS data into a feature table for untargeted metabolomics.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

metabolomics-de

Metabolomics differential analysis using univariate tests (t-test, FDR), multivariate methods (PCA, PLS-DA, OPLS-DA, sPLS-DA), Random Forest, and ROC analysis for biomarker discovery.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

metabolomics-statistics

Statistical analysis for metabolomics — PCA, PLS-DA, clustering, and univariate tests.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

metabolomics-xcms-preprocessing

XCMS3 workflow for LC-MS/GC-MS metabolomics preprocessing. Peak detection (CentWave/MatchedFilter), RT alignment (Obiwarp), correspondence, gap filling, and CAMERA adduct/isotope annotation.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

microbiome-cancer-agent

AI-powered analysis of microbiome-cancer interactions including tumor microbiome profiling, immunotherapy response prediction, and microbiome-targeted therapeutic opportunities.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

proteomics-ptm

Post-translational modification analysis including phosphorylation, acetylation, and ubiquitination. Site localization, motif analysis, and quantitative PTM analysis with MSstatsPTM.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-entrez-search

Search NCBI databases using Biopython Bio.Entrez. Use when finding records by keyword, building complex search queries, discovering database structure, or getting global query counts across databases.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

biomni-general-agent

Use the local Biomni checkout to orchestrate its 150+ biomedical tools, databases, and know-how workflows for complex research questions.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

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.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

spatial-condition

Experimental condition comparison using pseudobulk differential expression with proper multi-sample statistics.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

spatial-de

Differential expression analysis — find marker genes for clusters or compare two groups. Supports Wilcoxon rank-sum, t-test, and PyDESeq2 methods with publication-ready figures and CSV tables.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-small-rna-seq-mirdeep2-analysis

Discover novel miRNAs and quantify known miRNAs using miRDeep2 de novo prediction from small RNA-seq data. Use when identifying new miRNAs or performing comprehensive miRNA profiling with discovery.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-workflows-imc-pipeline

End-to-end imaging mass cytometry workflow from raw acquisitions to spatial cell analysis. Orchestrates image preprocessing, segmentation, phenotyping, and spatial statistics. Use when analyzing imaging mass cytometry data end-to-end.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-workflows-metabolic-modeling-pipeline

End-to-end genome-scale metabolic modeling from genome sequence to flux predictions. Covers automated reconstruction with CarveMe, model validation with memote, FBA/FVA analysis, and gene essentiality prediction. Use when building metabolic models or predicting metabolic phenotypes from genomic data.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

bio-workflows-metabolomics-pipeline

End-to-end metabolomics workflow from raw MS data to pathway analysis. Orchestrates XCMS preprocessing, annotation, normalization, statistical analysis, and pathway mapping. Use when processing LC-MS metabolomics data.

mdbabumiamssm
mdbabumiamssm
research
open
scientific-computing
24

cosmic-database

Access COSMIC cancer mutation database. Query somatic mutations, Cancer Gene Census, mutational signatures, gene fusions, for cancer research and precision oncology. Requires authentication.

oimiragieo
oimiragieo
research
open
scientific-computing
24

deepchem

Molecular ML with diverse featurizers and pre-built datasets. Use for property prediction (ADMET, toxicity) with traditional ML or GNNs when you want extensive featurization options and MoleculeNet benchmarks. Best for quick experiments with pre-trained models, diverse molecular representations. For graph-first PyTorch workflows use torchdrug; for benchmark datasets use pytdc.

oimiragieo
oimiragieo
research
open
scientific-computing
24

deeptools

NGS analysis toolkit. BAM to bigWig conversion, QC (correlation, PCA, fingerprints), heatmaps/profiles (TSS, peaks), for ChIP-seq, RNA-seq, ATAC-seq visualization.

oimiragieo
oimiragieo
research
open
scientific-computing
24

denario

Multiagent AI system for scientific research assistance that automates research workflows from data analysis to publication. This skill should be used when generating research ideas from datasets, developing research methodologies, executing computational experiments, performing literature searches, or generating publication-ready papers in LaTeX format. Supports end-to-end research pipelines with customizable agent orchestration.

oimiragieo
oimiragieo
research
open
scientific-computing
24

diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

oimiragieo
oimiragieo
research
open
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