The pytram package is decprecated and no longer supported. We recommend to switch to PyEMMA.
This python package implements the transition-based reweighting analyis method (TRAM) estimators.
Using conda:
conda install -c https://conda.binstar.org/omnia pytram
Using pip from PyPI:
# you might have to install these dependencies manually pip install cython pip install numpy # install pytram pip install pytram
Using pip from github (this will install the latest development version):
# you might have to install these dependencies manually pip install cython pip install numpy # install pytram - this might be slow pip install git+https://github.com/markovmodel/pytram.git@devel
- Christoph Wehmeyer <[email protected]>
- Antonia Mey <[email protected]>
- Fabian Paul <[email protected]>
- Hao Wu <[email protected]>
- Frank Noé <[email protected]>
dTRAM: Statistically optimal analysis of state-discretized trajectory data from multiple thermodynamic states, Hao Wu, Antonia S.J.S. Mey, Edina Rosta, and Frank Noé, J. Chem. Phys. 141, 214106 (2014).
Download: <http://scitation.aip.org/content/aip/journal/jcp/141/21/10.1063/1.4902240>
xTRAM: Estimating Equilibrium Expectations from Time-Correlated Simulation Data at Multiple Thermodynamic States, Antonia S.J.S. Mey, Hao Wu, and Frank Noé, Phys. Rev. X 4, 041018 (2014).
Download: <http://journals.aps.org/prx/pdf/10.1103/PhysRevX.4.041018>
Copyright (c) 2014, Computational Molecular Biology Group, FU Berlin, 14195 Berlin, Germany.
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