atomate 1.0.3

atomate has implementations of FireWorks workflows for Materials Science

# <img alt=”atomate” src=”https://raw.githubusercontent.com/hackingmaterials/atomate/main/docs_rst/_static/atomate_logo_small.png” width=”250”>

[](https://github.com/hackingmaterials/atomate/actions/workflows/test.yml) [](https://pypi.org/project/atomate) [](https://pypi.org/project/atomate) [](https://python.org/downloads)

atomate is a software for computational materials science that contains pre-built workflows to compute and analyze the properties of materials.

• Website (including documentation): https://hackingmaterials.github.io/atomate/
• Help/Support: https://discuss.matsci.org/c/atomate
• Source: https://github.com/hackingmaterials/atomate

If you find atomate useful, please encourage its development by citing the following paper in your research output:

`txt Mathew, K., Montoya, J. H., Faghaninia, A., Dwarakanath, S., Aykol, M., Tang, H., Chu, I., Smidt, T., Bocklund, B., Horton, M., Dagdelen, J., Wood, B., Liu, Z.-K., Neaton, J., Ong, S. P., Persson, K., Jain, A., Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows. Comput. Mater. Sci. 139, 140-152 (2017). `