Metadata-Version: 2.1
Name: plams
Version: 2024.103
Summary: Python Library for Automating Molecular Simulations
Home-page: https://www.scm.com/doc/plams/
Download-URL: https://github.com/SCM-NV/PLAMS/zipball/release
Author: Software for Chemistry and Materials
Author-email: info@scm.com
License: LGPLv3
Keywords: molecular modeling,computational chemistry,workflow,python interface
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3.6
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Requires-Python: >=3.6
License-File: LICENSE.md
Requires-Dist: dill>=0.2.4
Requires-Dist: numpy<2
Requires-Dist: scipy
Requires-Dist: natsort
Provides-Extra: chem_tools
Requires-Dist: ase<3.23; extra == "chem-tools"
Requires-Dist: rdkit; extra == "chem-tools"
Provides-Extra: results
Requires-Dist: networkx<3; extra == "results"

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>`_
