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:
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 files for atomate 1.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| atomate-1.1.0.tar.gz | 3.3 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| atomate-1.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 3.6 MB
Release files / atomate-1.1.0.tar.gz
| Download URL | atomate-1.1.0.tar.gz |
|---|---|
| Size | 3.3 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.11.4
|
Release files / atomate-1.1.0-py3-none-any.whl
| Download URL | atomate-1.1.0-py3-none-any.whl |
|---|---|
| Size | 277.4 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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|
BLAKE2b-256 checksum How to use checksums |
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|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.11.4
|
