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HTMACat

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1.0.5 HTMACat-1.0.5-py3-none-any.whl

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Project: HTMACat
Version: 1.0.5
Filename: HTMACat-1.0.5-py3-none-any.whl
Download: [link]
Size: 120346
MD5: 792f67a0b3dc00aa7d1f2fbc742790d1
SHA256: 5753d29153cdf68e59aff76fcf4844dc02a6cdda6aeba65c292b0a326f6d9cc7
Uploaded: 2023-06-02 23:59:07 +0000

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METADATA · WHEEL · RECORD · top_level.txt · entry_points.txt

METADATA

Metadata-Version: 2.1
Name: HTMACat
Version: 1.0.5
Summary: A high-throughput modeling, calculation, and analysis framework for catalytic reaction processes.
Author: Jiaqiang Yang, Feifeng Wu, Zhaojie Wang, Yuxiao Lan, Haojie Li, Zhang Liu, Zhihong Zhang, Bin Shan*
Author-Email: bshan[at]mail.hust.edu.cn
Home-Page: https://stanfordbshan.github.io/HTMACat-kit/
License: GPLv3
Keywords: high-throughput,python,catalysis,modeling
Classifier: Development Status :: 3 - Alpha
Classifier: Environment :: Console
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Requires-Dist: ase (>=3.19)
Requires-Dist: numpy (>=1.20.0)
Requires-Dist: networkx (>=2.1)
Requires-Dist: scipy (>=0.1)
Requires-Dist: spglib (>=0.1)
Requires-Dist: ruamel.yaml (>0.15)
Requires-Dist: rdkit (>=2022.3.3)
Requires-Dist: typer[all] (>=0.6)
Requires-Dist: scikit-learn (>=1.0.1)
Description-Content-Type: text/markdown
[Description omitted; length: 2926 characters]

WHEEL

Wheel-Version: 1.0
Generator: bdist_wheel (0.40.0)
Root-Is-Purelib: true
Tag: py3-none-any

RECORD

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HTMACat-1.0.5.dist-info/RECORD — —

top_level.txt

HTMACat

entry_points.txt

[console_scripts]
htmat = HTMACat.command:main