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Hi there 👋

I am Jan, the group leader for Materials Informatics at the Max-Planck Institut für Eisenforschung, where I apply methods from computer science including machine learning to discover new materials. In addition, I lead the development of the pyiron workflow framework and maintain over 700 materials science related software packages on conda-forge to enable reproducible materials science.

Contributions to the pyiron project:

Name Description Documentation Conda Package
pyiron/atomistics Interfaces for atomistic simulation codes and workflows 📚 📦
pyiron/pympipool Scale serial and MPI-parallel python functions over hundreds of compute nodes all from within a jupyter notebook or serial python process. 📚 📦
pyiron/pysqa Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation. 📚 📦

Contributions to open-source projects during my Postdoc at Los Alamos National Lab:

Name Description Documentation Conda Package
lanl/architector A 3D chemical structure generation software package designed to take minimal 2D information about ligands and metal centers and generates chemically sensible 3D conformers and stereochemistry of the organometallic compounds. 📦
FitSNAP/FitSNAP Software for generating SNAP machine-learning interatomic potentials 📚 📦
lanl/hippynn A modular library for atomistic machine learning with pytorch 📚 📦

Personal (non scientific) projects:

Name Description Documentation Conda Package
gmailsorter Similarity based email sorting for Google Mail using RandomForest classifiers 📚 📦
pyauthenticator Similar to the Google authenticator just written in Python to automate annoying two factor authentication. 📦
pymov2gif Convert *.mov files from Mac OS X screen recordings to *.gif files for uploading on Github. 📦

Jan Janssen's Projects

conda-forge-contribution icon conda-forge-contribution

My contributions to the conda-forge community - over 750 packages with a total of over 180 million downloads - primarily focused on materials informatics.

cv icon cv

A LaTeX template for academic CVs

gmailsorter icon gmailsorter

Similarity based email sorting for Google Mail using RandomForest classifiers

langsim icon langsim

Application of Large Language Models (LLM) for computational materials science

pyauthenticator icon pyauthenticator

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

pymov2gif icon pymov2gif

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

staged-recipes icon staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

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