HTMACat

Name	HTMACat JSON
Version	1.0.4 JSON
	download
home_page	https://stanfordbshan.github.io/HTMACat-kit/
Summary	A high-throughput modeling, calculation, and analysis framework for catalytic reaction processes.
upload_time	2023-04-26 08:13:08
maintainer
docs_url	None
author	Jiaqiang Yang, Feifeng Wu, Bin Shan
requires_python	>=3.6, <3.10
license	GPLv3
keywords	high-throughput python catalysis modeling
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            This kit it provides key tools for high-throughput design and screening of catalytic materials. The software mainly includes functional modules such as surface structure analysis and information extraction, catalytic surface and various adsorption model construction, automatic construction of primitive reaction processes, automatic extraction of computational data and automatic extraction and construction of descriptors.



            

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