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infretis

Python libraries for running ∞RETIS

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Python libraries for running ∞RETIS

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  1. infretis infretis Public

    A python library for replica exchange transition interface sampling with infinite swaps

    Python 14 16

  2. infentory infentory Public

    An inventory of example systems for the infretis software

    Python 3 4

  3. turtlemd turtlemd Public

    TurtleMD is a slow molecular dynamics software for testing.

    Python 2 2

  4. inftools inftools Public

    Useful tools for infretis simulations

    Python 1 8

  5. infcore infcore Public

    Core path sampling objects pulled originally from PyRETIS 3.

    Python 1

  6. cv-profet cv-profet Public

    Gain mechanistic insights out of your simulations with predictive power calculations

    Python 1

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