Metadata-Version: 2.4
Name: mosmo
Version: 0.2.0
Summary: Molecular Systems Modeling toolkit
Project-URL: Homepage, https://github.com/fdrusso/mosmo
Project-URL: Bug Tracker, https://github.com/fdrusso/mosmo/issues
Author-email: Frank D Russo <fdrusso.42@gmail.com>
License: MIT License
        
        Copyright (c) 2021 Frank D. Russo, Ph.D.
        
        Permission is hereby granted, free of charge, to any person obtaining a copy
        of this software and associated documentation files (the "Software"), to deal
        in the Software without restriction, including without limitation the rights
        to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
        copies of the Software, and to permit persons to whom the Software is
        furnished to do so, subject to the following conditions:
        
        The above copyright notice and this permission notice shall be included in all
        copies or substantial portions of the Software.
        
        THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
        IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
        FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
        AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
        LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
        OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
        SOFTWARE.
License-File: LICENSE.txt
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Artificial Life
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Requires-Python: >=3.11
Requires-Dist: equilibrator-api>=0.6
Requires-Dist: jax>=0.4
Requires-Dist: numpy>=2.1
Requires-Dist: pymongo>=4.8
Requires-Dist: scipy>=1.12
Provides-Extra: deploy
Requires-Dist: hatch>=1.12; extra == 'deploy'
Provides-Extra: test
Requires-Dist: pytest>=8.3; extra == 'test'
Description-Content-Type: text/markdown

# mosmo: *Mo*lecular *S*ystems *Mo*deling

A python-friendly framework for generalized modeling, analysis,
and simulation of systems composed of interacting molecules. The
package consists of
- **model**: classes and structures for representing the components
of a system.
- **knowledge**: a catalog of known system components and their attributes.
Described using **model** classes, and generally cross-referenced
to standard online databases.
- **calc**: algorithms and routines used to manipulate, analyze, and simulate
systems built with **model** classes (whether from the Knowledge Base
or not).
- **preso**: facilitates front-end interaction and visualization,
particularly in the context of Jupyter notebooks.
