plams

Python Library for Automating Molecular Simulations

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Project description

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.

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This version

1.5.1

Jul 26, 2021

1.5

Jul 26, 2021

1.4

Mar 28, 2019

1.1.1

May 19, 2017

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Uploaded Jul 26, 2021 Python 3

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