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

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

Last synced: about 23 hours ago
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• Host: GitHub
• URL: https://github.com/molssi-seamm/rdkit_step
• Owner: molssi-seamm
• License: bsd-3-clause
• Created: 2021-09-19T19:55:44.000Z (over 3 years ago)
• Default Branch: main
• Last Pushed: 2023-02-22T21:01:37.000Z (almost 2 years ago)
• Last Synced: 2024-12-11T02:51:33.722Z (29 days ago)
• Language: Python
• Size: 1.32 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 RDKit Plug-in

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

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

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

   :alt: GitHub pull requests

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

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

   :alt: Build Status

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

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

   :alt: Code Coverage

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

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

   :alt: Code Quality

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

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

   :alt: Documentation Status

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

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

   :alt: PyPi VERSION

A SEAMM plug-in for RDKit

* Free software: BSD-3-Clause

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

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

Features

--------

* Please edit this section!

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 ACI-1547580

.. _MolSSI: https://molssi.org

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