setup.yaml

name: msm-theory-sandbox
version: 0.0.1

authors:
  - Hao Wu
  - Feliks Nueske
  - Josh Fass
  - Jan-Hendrik Prinz
  - Fabian Paul
  - Frank Noe

emails:
  - jan.prinz@gmx.de,
  - josh.fass@choderalab.org

description: 'A collection of examples and tools for the exploration of MSM theory.'

long_description: |
  A collection of examples and tools for the exploration of MSM theory.

classifiers: |
  Development Status :: 3 - Alpha
  Intended Audience :: Science/Research
  Intended Audience :: Developers
  License :: OSI Approved :: GNU Lesser General
  Public License v2.1 or later (LGPLv2.1+)
  Programming Language :: C
  Programming Language :: Python
  Programming Language :: Python :: 2
  Topic :: Scientific/Engineering :: Bio-Informatics
  Topic :: Scientific/Engineering :: Chemistry
  Operating System :: Microsoft :: Windows
  Operating System :: POSIX
  Operating System :: Unix
  Operating System :: MacOS

download_url: http://github.com/markovmodel/msm-theory-sandbox
url: http://github.com/markovmodel/msm-theory-sandbox

packages:
  - msmsandbox

platforms:
  - Linux
  - Mac OS X
  - Windows

released: false

requires:
  - python
  - numpy
  - scipy
  - pandas
  - openmm
  - openmmtools
  - pymbar
  - docopt
  - pyyaml
  - mdtraj
  - svgwrite
  - matplotlib
  - ujson
  - pyemma
  - msmtools

license: LGPL 2.1 or later
license_file: LICENSE