atomate has implementations of FireWorks workflows for Materials Science

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atomate

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

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

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).

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This version

1.1.0

1.0.3

1.0.2

1.0.1

1.0.0

0.9.9

0.9.8

0.9.7

0.9.6

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0.7.9

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0.7.1

0.7.0

0.6.9

0.6.8

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0.6.6

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0.6.1

0.6.0

0.5.8

0.5.7

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0.5.3

0.5.2

0.5.1

0.5.0

0.4.5

0.4.4

0.4.3

0.4.2

0.4.1

0.4.0

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