{ "info": { "author": "The Emma team", "author_email": "info@emma-project.org", "bugtrack_url": null, "classifiers": [ "Development Status :: 5 - Production/Stable", "Environment :: Console", "Environment :: MacOS X", "Intended Audience :: Science/Research", "License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)", "Natural Language :: English", "Operating System :: MacOS :: MacOS X", "Operating System :: Microsoft :: Windows", "Operating System :: POSIX", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Mathematics", "Topic :: Scientific/Engineering :: Physics" ], "description": "=====================================\nEMMA (Emma's Markov Model Algorithms)\n=====================================\n\n.. image:: https://img.shields.io/travis/markovmodel/PyEMMA/master.svg\n :target: https://travis-ci.org/markovmodel/PyEMMA\n.. image:: https://img.shields.io/pypi/v/pyemma.svg\n :target: https://pypi.python.org/pypi/pyemma\n.. image:: https://anaconda.org/conda-forge/pyemma/badges/downloads.svg\n :target: https://anaconda.org/conda-forge/pyemma\n.. image:: https://anaconda.org/conda-forge/pyemma/badges/installer/conda.svg\n :target: https://conda.anaconda.org/conda-forge\n.. image:: https://img.shields.io/codecov/c/github/markovmodel/PyEMMA/devel.svg\n :target: https://codecov.io/gh/markovmodel/PyEMMA/branch/devel\n\n\nWhat is it?\n-----------\nPyEMMA (EMMA = Emma's Markov Model Algorithms) is an open source\nPython/C package for analysis of extensive molecular dynamics simulations.\nIn particular, it includes algorithms for estimation, validation and analysis\nof:\n\n * Clustering and Featurization\n * Markov state models (MSMs)\n * Hidden Markov models (HMMs)\n * Multi-ensemble Markov models (MEMMs)\n * Time-lagged independent component analysis (TICA)\n * Transition Path Theory (TPT)\n\nPyEMMA can be used from Jupyter (former IPython, recommended), or by\nwriting Python scripts. The docs, can be found at\n`http://pyemma.org `__.\n\n\nCitation\n--------\nIf you use PyEMMA in scientific work, please cite:\n\n M. K. Scherer, B. Trendelkamp-Schroer, F. Paul, G. P\u00e9rez-Hern\u00e1ndez,\n M. Hoffmann, N. Plattner, C. Wehmeyer, J.-H. Prinz and F. No\u00e9:\n PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models,\n J. Chem. 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