Skip to content
View jan-janssen's full-sized avatar
305 followers · 0 following

Highlights

Organizations

@lanl @numfocus @conda-forge @pyiron @eisenforschung @materialdigital @pythonworkflow

Block or report jan-janssen

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Maximum 250 characters. Please don't include any personal information such as legal names or email addresses. Markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
jan-janssen/README.md

Hi there 👋

I am Jan and I work on automating material sience with machine learning to accelerate the discovery of sustainable materials.

Automate Materials Discovery 🧑‍🔬

I lead the Materials Informatics Group at the Max Planck Institute for Sustainable Materials. We develop machine learning models for ab-initio thermodynamics workflows using uncertainty quantification to achieve quantitative predictions which can be directly compared with experiments.

Scientific Workflows

Project Scope Coverage Github Stars
pyiron/executorlib (since 2025) Up-scale python functions HPC codecov GitHub Repo stars
pyiron/pyiron (2015-2025) Atomistics development environment GitHub Repo stars
pythonworkflow/python-workflow-definition Workflow interoperability standard GitHub Repo stars

Completed Projects

Project Scope Coverage Github Stars
jan-janssen/LangSim LLM Agents for Atomistic Simulation GitHub Repo stars
pyiron/pylammpsmpi Parallel Lammps Python interface codecov GitHub Repo stars
pyiron/pysqa Simple HPC queuing system adapter codecov GitHub Repo stars

Automate Everything Else 🚀

Beyond my professional interest, I aim to automate repetitive tasks in my daily work, incuding:

Project Scope Coverage Github Stars
jan-janssen/gmailsorter Automate sorting emails into folders Coverage Status GitHub Repo stars
jan-janssen/pyauthenticator Automate two-factor authentication Coverage Status GitHub Repo stars
jan-janssen/conda-forge-contribution Automate software packaging GitHub Repo stars

Popular repositories Loading

  1. LangSim LangSim Public

    Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim

    Jupyter Notebook 79 14

  2. gmailsorter gmailsorter Public

    Similarity based email sorting for Google Mail using RandomForest classifiers

    Python 19

  3. conda-forge-contribution conda-forge-contribution Public template

    My contributions to the conda-forge community - over 1000 packages with a total of over 450 million downloads and 500 000 downloads per day - primarily focused on materials informatics.

    HTML 10 12

  4. pyauthenticator pyauthenticator Public

    Similar to the Google authenticator just written in Python to automate annoying two factor authentication.

    Python 10 1

  5. pymov2gif pymov2gif Public

    Convert *.mov files from Mac OS X screen recordings to *.gif files for uploading on Github.

    Jupyter Notebook 1

  6. shared-conda-environment shared-conda-environment Public template

    Install the same conda environment on all your computers.

    Python 1