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  • Fraunhofer ITMP (Hamburg)
  • Germany, Hamburg (work) / Hannover (home)
  • 07:52 (UTC +01:00)
  • Mastodon @apahl@fosstodon.org

Achievements

Achievement: Public SponsorAchievement: Pair ExtraordinaireAchievement: Galaxy BrainAchievement: Pull Sharkx2Achievement: Arctic Code Vault ContributorAchievement: Starstruck

Achievements

Achievement: Public SponsorAchievement: Pair ExtraordinaireAchievement: Galaxy BrainAchievement: Pull Sharkx2Achievement: Arctic Code Vault ContributorAchievement: Starstruck

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apahl/README.md

About Me

Name: Dr. Axel Pahl (ORCID)

Keywords

Cell painting, Cheminformatics, Data science, Medicinal chemistry;
Python, RDKit, Pandas, Flask, Panel, Seaborn;
Rust, SQL, Pipeline Pilot

Short Profile

PhD (Dr. rer. nat.) in organic chemistry. Strong background in medicinal chemistry (lab leader in pharmaceutical industry for 9 years). Cheminformatics and data science. Linux enthusiast, interested in programming languages, general geek.
Current position: Medicinal chemist / chemical data scientist at the ScreeningPort group of the Fraunhofer ITMP in Hamburg (Germany).

Skills

Languages

  • German: Native
  • English: Fluent

IT

  • General: Focus on open and free systems whenever possible

  • OS: Predominantly Linux; Windows

  • Extensive knowledge of programming languages:

    • Many years of experience in programming in Python, mainly using the Python data science stack (Numpy, Pandas), web services via Flask and Panel, visualization via Matplotlib, Seaborn, Holoviews, Altair
    • Additional experience in programming in Rust, Go and Nim

  • High familarity with tools and libraries

    • RDKit (Talks at 2 RDKit UGMs)
    • Pipeline Pilot expert user
    • Managing cluster workflows using SLURM
    • Compound registration in Oracle databases, database admin

Recent Publications and Talks

See separate document.

Pinned Loading

  1. jupy_tools jupy_tools Public

    misc tools for working in a Jupyter notebook in a cheminformatics context

    Python 2

  2. mol_frame mol_frame Public

    Chemical Structure Handling for Pandas DataFrames

    Jupyter Notebook 33 11

  3. plate-inspector plate-inspector Public

    quickly generate overviews of Cell Painting image plates

    Rust 1

  4. cluster_mst cluster_mst Public

    Compound clustering as MST

    Python

  5. nim_magic nim_magic Public

    Nim cell magic for JupyterLab or Juypter Python Notebooks.

    Jupyter Notebook 52 1

  6. rdkit_cxx rdkit_cxx Public

    RDKit bindings for Rust

    Rust 1