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.
Website (including documentation): https://hackingmaterials.github.io/atomate/
Help/Support: https://discuss.matsci.org/c/atomate
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). `
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
File details
Details for the file atomate-1.0.2.tar.gz.
File metadata
- Download URL: atomate-1.0.2.tar.gz
- Upload date:
- Size: 3.3 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: Python-urllib/3.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | de71dfb2cb4b11bdf48245475e2f671df674bdffee40c086ed3316682bf69e36 |
|
| MD5 | 172d009e7bbcd3c1a454cefb2eb00368 |
|
| BLAKE2b-256 | 56ff71688e26a7faa0bf69b67c0978320e5c958ca8bf77cbdcb0b5921f65aa25 |
