pyiron - an integrated development environment (IDE) for computational materials science.


Info: This package contains files in non-standard labels.

conda install

  • noarch  v0.4.6
To install this package with conda run one of the following:
conda install -c conda-forge pyiron
conda install -c conda-forge/label/gcc7 pyiron
conda install -c conda-forge/label/cf201901 pyiron
conda install -c conda-forge/label/cf202003 pyiron


pyiron was initially developed in the Computational Materials Design department of Joerg Neugebauer at the Max Planck Insitut für Eisenforschung (Max Planck Insitute for iron research) as a framework for ab initio thermodynamics. In collaboration with the Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) the framework was recently extended for high throughput applications resulting in the opensource release of pyiron.

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