semvec/pypi-packages huggingface dataset:
chemical-formula 2021.7.26
chemical_formula
License: BSD-3-Clause
Keywords: chemical_formula

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=========================
Chemical Formula
=========================

A package for handling a `chemical formula`_: parsing text formulae, producing standard
text formats, and other useful utilities.

* Free software: Lesser GPL (LGPL)
* Documentation: https://chemical-formula.readthedocs.io.

.. _chemical formula: https://en.wikipedia.org/wiki/Chemical_formula

Features
--------

* Accepts with a SMILES string directly or from a variable.
* The generated structure can optionally be optimized using one of
  several forcefields.

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


=======
History
=======

0.1.0 (2017-12-07)
------------------

* First release on PyPI.