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pyiron
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pyiron

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

by pyiron · GitHub
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ab-initioasedevelopment-environmentBSD-3-ClauseJupyter Notebook
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In plain words

Develop and run simulations for materials science projects in an integrated environment.

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2026-07-202026-08-31
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📄 About

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

pyiron has 458 stars on GitHub. It has been forked 55 times. pyiron is written mainly in Jupyter Notebook. It has been in active development since 2018. pyiron is available under the BSD-3-Clause license. Its main topics are ab-initio, ase, development-environment, dft.

Frequently asked questions

What is pyiron?

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

Is pyiron open source?

pyiron is an open-source project. It is released under the BSD-3-Clause license.

Is pyiron free?

Yes. pyiron is free and open source — you can use, modify and self-host it.

What license does pyiron use?

pyiron is available under the BSD-3-Clause license.

What language is pyiron written in?

pyiron is written mainly in Jupyter Notebook.

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