jan-janssen's Introduction

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.	📚	📦

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	📚	📦

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.		📦

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