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Tools & Libraries

Explore the ecosystem of tools and libraries that power the quantms workflow

Nextflow Pipelines

quantms

quantms

A cloud-ready Nextflow pipeline for DDA quantitative proteomics: label-free (LFQ) and isobaric labeling (TMT/iTRAQ) workflows.

$ nextflow run bigbio/quantms -profile docker
  • DDA-LFQ and DDA-ISO (TMT/iTRAQ) workflows in one pipeline
  • ML-based PSM rescoring with MS2PIP and DeepLC
  • Cloud-ready: AWS, GCP, Azure, HPC, and local execution
  • Published in Nature Methods 2024
quantmsdiann

quantmsdiann

DIA proteomics Nextflow pipeline powered by DIA-NN, supporting both library-free and spectral library modes with standardized output.

$ nextflow run bigbio/quantmsdiann -profile docker
  • DIA proteomics powered by DIA-NN engine
  • Library-free and spectral library acquisition modes
  • Integrated with qpx for standardized Parquet output
  • Scalable from laptop to cloud infrastructure

Python Libraries

mokume

mokume (successor to ibaqpy)

A unified protein quantification library that extends and replaces ibaqpy. Beyond iBAQ, mokume adds MaxLFQ, TopN, ratio quantification, normalization, batch correction, and differential expression — all from any search engine output.

$ pip install mokume
  • All ibaqpy functionality included (iBAQ absolute quantification)
  • Additional methods: MaxLFQ, TopN, median, ratio (TMT/iTRAQ)
  • Normalization, batch correction (ComBat), IRS, and differential expression
  • Works with quantms, quantmsdiann, DIA-NN, MaxQuant, FragPipe outputs
qpx

qpx

Quantitative proteomics exchange format. A unified Parquet-based data standard for cross-tool and cross-dataset proteomics analysis.

$ pip install qpx
  • Convert from DIA-NN, MaxQuant, FragPipe, and Spectronaut
  • Unified Parquet format with DuckDB query support
  • Collection indexes for cross-dataset search
  • Export to AnnData (.h5ad) for scverse compatibility
sdrf-pipelines

sdrf-pipelines

A set of tools to validate and convert SDRF files to workflow configuration formats for proteomics analysis pipelines.

$ pip install sdrf-pipelines
  • SDRF metadata validation and annotation
  • Convert to workflow configs: MaxQuant, OpenMS, DIA-NN
  • Standardized sample metadata for proteomics
  • Community-maintained SDRF templates

Quality Control & Utilities

pmultiqc

pmultiqc

A MultiQC plugin for visualizing and aggregating quality control metrics from proteomics data analysis workflows.

$ pip install pmultiqc
  • MultiQC plugin for proteomics QC reporting
  • Interactive HTML reports: PCA, heatmaps, CVs
  • Supports LFQ, TMT, and DIA experiments
  • Integrates with quantms and mokume outputs
ibaqpy

ibaqpy → now part of mokume

The original iBAQ quantification library. Its functionality is now fully integrated into mokume, which extends it with MaxLFQ, TopN, normalization, batch correction, and differential expression. New projects should use mokume directly.

$ pip install mokume  # recommended (includes all ibaqpy features)
  • iBAQ absolute protein quantification (original implementation)
  • SDRF-driven metadata handling
  • All features preserved and extended in mokume
  • ibaqpy remains available for legacy compatibility
quantms-rescoring

quantms-rescoring

PSM rescoring tool that adds deep-learning features to peptide-spectrum matches using MS2PIP, DeepLC, and AlphaPeptDeep to boost identification rates.

$ pip install quantms-rescoring
  • PSM rescoring with MS2PIP and DeepLC
  • AlphaPeptDeep integration for retention time prediction
  • Percolator-based FDR control
  • Boosts identification rates by 10–30%