plams

Name	plams JSON
Version	2024.105 JSON
	download
home_page	https://www.scm.com/doc/plams/
Summary	Python Library for Automating Molecular Simulations
upload_time	2024-11-20 14:43:15
maintainer	None
docs_url	None
author	Software for Chemistry and Materials
requires_python	>=3.6
license	LGPLv3
keywords	molecular modeling computational chemistry workflow python interface
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            PLAMS is a library providing powerful, flexible and easily extendable Python interface to molecular modeling programs. It takes care of input preparation, job execution, file management and output data extraction. It helps with building advanced data workflows that can be executed in parallel, either locally or by submitting to a resource manager queue.

Please check the project's GitHub page for more information: https://github.com/SCM-NV/PLAMS 

PLAMS is an Open Source project supported by `Software for Chemistry & Materials B.V. <https://www.scm.com>`_

            

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