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pgarrett-scripps/README.md

Patrick Garrett

Computational proteomics researcher and scientific software developer
PhD candidate in the Yates Lab at Scripps Research.

I build open-source Python and Rust tools for mass spectrometry, peptide and spectrum analysis, scientific data formats, and machine-learning workflows. Mature proteomics packages live under tacular-omics; experimental and cross-disciplinary projects live here.

Portfolio Google Scholar ORCID LinkedIn

Current focus

  • High-performance Python and Rust software for computational proteomics
  • Peptide, protein, and mass-spectrum representation and analysis
  • Bruker timsTOF and mzML data processing
  • Machine learning and real-time workflows for mass spectrometry
  • Open standards, reproducible research, and durable scientific software

Featured software

Project What it does Release
Peptacular ProForma-aware peptide parsing, mass calculation, fragmentation, and isotope prediction DOI
Spxtacular Chainable spectrum processing, deconvolution, fragment matching, and PSM scoring DOI
Spectrl Compact, URL-safe interchange format for mass spectra DOI
tdfpy Pure-Python access to Bruker timsTOF data DOI
dnoise Rust tooling for structural-prior denoising of timsTOF data DOI
Sequoia Boost Gradient-boosted decision trees implemented in pure Rust DOI

More projects

  • sage-plus — experimental downstream Sage distribution and workflow tooling
  • mzmlpy — lightweight, type-safe, lazy mzML reader
  • paftacular — mzPAF peak-annotation parsing and analysis
  • tacular — omics datatypes and controlled-vocabulary lookups
  • PeerReviewAgents — multi-agent framework for structured manuscript review
  • rustypaper — structure-aware scientific PDF conversion in Rust

Selected publications

  • Polymorphic IGLV6-57 AL amyloid fibrils and features of a shared folding pathway. Nature Communications (2026). DOI
  • Rapid Histone Post-Translational Modification Analysis Using Alternative Proteases and Tandem Mass Tags. Analytical Chemistry (2026). DOI
  • Native top-down proteomics enables discovery in endocrine-resistant breast cancer. Nature Chemical Biology (2025). DOI

See the complete list on Google Scholar or my portfolio.

Tools I reach for

Python · Rust · PyO3 · Polars · NumPy · scikit-learn · Plotly · Streamlit · Docker · GitHub Actions

Get in touch

I am open to conversations about computational proteomics, mass-spectrometry software, scientific Python and Rust, open-source collaboration, and research-engineering opportunities.

Portfolio · GitHub organization · LinkedIn · ORCID

Pinned Loading

  1. ranged_bintrees ranged_bintrees Public

    Forked from mozman/bintrees

    Bounded Range Query

    Python 3

  2. ranged_kdtree ranged_kdtree Public

    Forked from Vectorized/Python-KD-Tree

    A simple and fast KD-tree for points in Python for kNN or nearest points. (damm short at just ~60 lines) No libraries needed.

    Python 4

  3. FastaFrames FastaFrames Public

    Convert between UniProt FASTA files and pandas DataFrames.

    Python 6

  4. tacular-omics/peptacular tacular-omics/peptacular Public

    A Python package for peptide sequence analysis built around ProForma 2.1 notation. Calculate masses, generate fragments, predict isotopic patterns, and more.

    Python 18 3