Metadata-Version: 1.1
Name: alchemtest
Version: 0.3.0
Summary: the simple alchemistry test set
Home-page: UNKNOWN
Author: David Dotson
Author-email: dotsdl@gmail.com
License: BSD
Description: alchemtest: the simple alchemistry test set
        ===========================================
        
        |doi| |docs|
        
        **alchemtest**  is a collection of test datasets for alchemical free energy calculations.
        The datasets come from a variety of software packages, primarily molecular
        dynamics engines, and are used as the test set for `alchemlyb`_.
        The package is standalone, however, and can be used for any purpose.
        
        Datasets are released under an `open license`_ that conforms to the
        `Open Definition 2.1`_ that allows free use, re-use, redistribution,
        modification, separation, for any purpose and without a charge.
        
        
        .. _`alchemlyb`: https://github.com/alchemistry/alchemlyb
        .. _`open license`:
           http://opendefinition.org/licenses/#recommended-conformant-licenses
        .. _`Open Definition 2.1`: http://opendefinition.org/od/2.1/en/
        
        
        .. |docs| image:: https://readthedocs.org/projects/alchemtest/badge/?version=latest
            :alt: Documentation
            :scale: 100%
            :target: https://alchemtest.readthedocs.io/en/latest/
        
        .. |doi| image:: https://zenodo.org/badge/83470847.svg
            :alt: Zenodo DOI
            :scale: 100%
            :target: https://zenodo.org/badge/latestdoi/83470847
        	     
        
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Python
Classifier: Topic :: Scientific/Engineering
