Skip to main content

atomate has implementations of FireWorks workflows for Materials Science

Project description

# <img alt=”atomate” src=”docs_rst/_static/atomate_logo_small.png” width=”250”>

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). `

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Filename, size & hash SHA256 hash help File type Python version Upload date
atomate-0.8.2.tar.gz (2.8 MB) Copy SHA256 hash SHA256 Source None Aug 10, 2018

Supported by

Elastic Elastic Search Pingdom Pingdom Monitoring Google Google BigQuery Sentry Sentry Error logging AWS AWS Cloud computing DataDog DataDog Monitoring Fastly Fastly CDN DigiCert DigiCert EV certificate StatusPage StatusPage Status page