Metadata-Version: 2.1
Name: openpathsampling
Version: 1.6.1
Summary: A Python package for path sampling simulations
Home-page: https://github.com/openpathsampling/openpathsampling
Author: David W.H. Swenson, Jan-Hendrik Prinz, John D. Chodera, and Peter G. Bolhuis
Author-email: dwhs@hyperblazer.net
License: MIT
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3.9
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Operating System :: POSIX
Classifier: Operating System :: Unix
Classifier: Operating System :: MacOS
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: future
Requires-Dist: psutil
Requires-Dist: numpy <2.0
Requires-Dist: scipy
Requires-Dist: pandas
Requires-Dist: netcdf4
Requires-Dist: svgwrite
Requires-Dist: networkx
Requires-Dist: matplotlib
Requires-Dist: ujson >=4.0.2
Requires-Dist: dill
Requires-Dist: sqlalchemy >=1.4.1
Requires-Dist: mdtraj
Provides-Extra: simstore
Provides-Extra: test
Requires-Dist: pytest ; extra == 'test'
Requires-Dist: pytest-cov ; extra == 'test'
Requires-Dist: coveralls ; extra == 'test'
Requires-Dist: nbval >=0.10.0 ; extra == 'test'

[![Tests](https://github.com/openpathsampling/openpathsampling/workflows/Tests/badge.svg?branch=master)](https://github.com/openpathsampling/openpathsampling/actions?query=workflow%3ATests)
[![codecov](https://codecov.io/gh/openpathsampling/openpathsampling/branch/master/graph/badge.svg?token=9W18VHasdb)](https://codecov.io/gh/openpathsampling/openpathsampling)

# OpenPathSampling

An open source Python framework for transition interface and path sampling
calculations.

See documentation here:

http://openpathsampling.org
