AFLOW Python API
Python API wrapping the AFLUX API language for AFLOW library. Note: This is not an official repo of the AFLOW consortium and is not maintained by them. API Documentation.
If you use this package, please cite it:
@ARTICLE{2017arXiv171000813R,
author = {{Rosenbrock}, C.~W.},
title = "{A Practical Python API for Querying AFLOWLIB}",
journal = {ArXiv e-prints},
archivePrefix = "arXiv",
eprint = {1710.00813},
primaryClass = "cs.DB",
keywords = {Computer Science - Databases},
year = 2017,
month = sep,
adsurl = {http://adsabs.harvard.edu/abs/2017arXiv171000813R},
adsnote = {Provided by the SAO/NASA Astrophysics Data System}
}
Quickstart
Install aflow from the python package index:
pip install aflow
Or alternatively install aflow from conda using:
conda install -c conda-forge aflow
Open an ipython notebook or terminal and execute the query from the paper:
from aflow import *
result = search(batch_size=20
).select(K.agl_thermal_conductivity_300K
).filter(K.Egap > 6).orderby(K.agl_thermal_conductivity_300K, True)
# Now, you can just iterate over the results.
for entry in result:
print(entry.Egap)aflow supports lazy evaluation. This means that if you didn’t ask for a particular property during the initial query, you can just ask for it later and the request will happen transparently in the background.
Python 2 Support
Although the package was originally designed to be compatible with both python 2 and python 3, python 2 has reached the end of its life. As such, we don’t guarantee anymore that it will work.
1 maintainer
Metadata
1 maintainer
Release files for aflow 0.0.11
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|
Release files / aflow-0.0.11-py3-none-any.whl
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| Tags | Python 3 |
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