https://github.com/molssi-seamm/seamm

The core of the SEAMM environment and graphical interface.
https://github.com/molssi-seamm/seamm

computational-chemistry computational-materials-science molssi molssi-seamm

Last synced: about 2 months ago
JSON representation

The core of the SEAMM environment and graphical interface.

• Host: GitHub
• URL: https://github.com/molssi-seamm/seamm
• Owner: molssi-seamm
• License: lgpl-3.0
• Created: 2018-01-20T19:55:03.000Z (almost 7 years ago)
• Default Branch: main
• Last Pushed: 2024-05-03T20:47:28.000Z (8 months ago)
• Last Synced: 2024-05-04T21:00:02.772Z (8 months ago)
• Topics: computational-chemistry, computational-materials-science, molssi, molssi-seamm
• Language: Python
• Homepage: https://molssi-seamm.github.io
• Size: 7.91 MB
• Stars: 11
• Watchers: 2
• Forks: 3
• Open Issues: 1
• Metadata Files:
  • Readme: README.rst
  • Changelog: HISTORY.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE
  • Authors: AUTHORS.rst

Awesome Lists containing this project

README

        
======================================================================

Simulation Environment for Atomistic and Molecular Simulations (SEAMM)

======================================================================

.. image:: https://img.shields.io/github/issues-pr-raw/molssi-seamm/seamm

   :target: https://github.com/molssi-seamm/seamm/pulls

   :alt: GitHub pull requests

.. image:: https://github.com/molssi-seamm/seamm/workflows/CI/badge.svg

   :target: https://github.com/molssi-seamm/seamm/actions

   :alt: Build Status

.. image:: https://codecov.io/gh/molssi-seamm/seamm/branch/master/graph/badge.svg

   :target: https://codecov.io/gh/molssi-seamm/seamm

   :alt: Code Coverage

.. image:: https://github.com/molssi-seamm/seamm/workflows/CodeQL/badge.svg

   :target: https://github.com/molssi-seamm/seamm/security/code-scanning

   :alt: Code Quality

.. image:: https://github.com/molssi-seamm/seamm/workflows/Release/badge.svg

   :target: https://molssi-seamm.github.io/seamm/index.html

   :alt: Documentation Status

.. image:: https://img.shields.io/pypi/v/seamm.svg

   :target: https://pypi.python.org/pypi/seamm

   :alt: PyPi VERSION

.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.5153984.svg

   :target: https://doi.org/10.5281/zenodo.5153984

   :alt: DOI

The MolSSI Simulation Environment for computational molecular and materials science (CMS)

* Free software: GNU Lesser General Public License v3

* Documentation: https://molssi-seamm.github.io/seamm/index.html

Features

--------

* TODO

Credits

-------

This package was created with Cookiecutter_ and the `molssi-seamm/cookiecutter-seamm-plugin`_ project template.

.. _Cookiecutter: https://github.com/audreyr/cookiecutter

.. _`molssi-seamm/cookiecutter-seamm-plugin`: https://github.com/molssi-seamm/cookiecutter-seamm-plugin

Developed by the Molecular Sciences Software Institute (MolSSI_),

which receives funding from the `National Science Foundation`_ under

awards OAC-1547580 and CHE-2136142

.. _MolSSI: https://www.molssi.org

.. _`National Science Foundation`: https://www.nsf.gov