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

A SEAMM plug-in for data tables in a flowchart.
https://github.com/molssi-seamm/table_step

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

Last synced: about 1 month ago
JSON representation

A SEAMM plug-in for data tables in a flowchart.

• Host: GitHub
• URL: https://github.com/molssi-seamm/table_step
• Owner: molssi-seamm
• License: bsd-3-clause
• Created: 2019-02-14T19:14:57.000Z (almost 6 years ago)
• Default Branch: main
• Last Pushed: 2023-11-10T11:07:03.000Z (about 1 year ago)
• Last Synced: 2024-11-06T03:44:58.349Z (about 2 months ago)
• Topics: computational-chemistry, computational-materials-science, molssi, molssi-seamm
• Language: Python
• Homepage:
• Size: 4.91 MB
• Stars: 0
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.rst
  • Changelog: HISTORY.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE

Awesome Lists containing this project

README

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

SEAMM Table Plug-in

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

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

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

   :alt: GitHub pull requests

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

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

   :alt: Build Status

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

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

   :alt: Code Coverage

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

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

   :alt: Code Quality

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

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

   :alt: Documentation Status

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

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

   :alt: PyPi VERSION

A SEAMM plug-in for data tables in a flowchart.

* Free software: BSD-3-Clause

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

* Code: https://github.com/molssi-seamm/table_step

Features

--------

* Creation of datatables with named, typed columns.

* Reading and writing data to the table.

* Printing and saving to CSV files.

* Accessible in custom_ scripts.

* Can loop_ over the rows in a flowchart.

.. _custom: https://molssi-seamm.github.io/custom_step/index.html

.. _loop: https://molssi-seamm.github.io/loop_step/index.html

Acknowledgements

----------------

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

award OAC-1547580 and CHE-2136142.

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

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