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pgarrett-scripps/README.md

πŸ’« About Me

PhD student at The Scripps Research Institute in the Yates Lab, developing Python tools for computational proteomics workflows. I maintain a suite of open-source packages and web applications for mass spectrometry data analysis. Currently setting up a server at Scripps to host production apps and services.

Active projects: MS1 feature finder, real-time mass spectrometry applications, machine learning modules for peptide property prediction, and MS1/MS2 search engines.

πŸ”¬ Streamlit Tools Homepage: https://proteomics-tools.streamlit.app/


πŸ“¦ Core Packages

Proteomics Analysis

  • Peptacular - Proforma 2.1 compliant utility package for amino acid sequences (similar to pyteomics)
  • FastaFrames - Convert between FASTA files and Pandas DataFrames
  • MsDecon - Simple-ish MS deconvolution using rustworkx graph algorithms
  • tdfpy - Parse Bruker timsTOF data with centroiding and noise filtering
  • MsMsCompression - URL-compatible compression algorithms for mass spectra

Data Processing


🌐 Web Applications


🎨 Streamlit Extensions


πŸ”§ IP2 Specific Tools

Hopefully you'll never need these

  • FilterFrames - Convert DTASelect-filter files to/from Pandas DataFrames
  • serenipy - Utility package for IP2 file formats

πŸ’» Tech Stack

Languages
Python Rust

"Scientific Computing"
NumPy Pandas Polars SciPy

Machine Learning
scikit-learn XGBoost TensorFlow Keras

Visualization
Plotly Matplotlib

Web
Streamlit FastAPI

DevOps
Docker Proxmox Linux Git Nginx Tailscale GitHub Actions

Performance
Numba Cython PyO3

🌐 Connect

I don't really use these, but feel free to follow anyway

LinkedIn Twitter


πŸ“Š GitHub Stats

GitHub Stats

GitHub Streak

Top Languages


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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. FastaSuite FastaSuite Public

    Python 1

  4. RawExtractor RawExtractor Public

    Python 1

  5. senpy senpy Public

    Python 1

  6. SpectraSuite SpectraSuite Public

    Python 1