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@cmelab

Computational Materials Engineering Laboratory

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  1. flowerMD flowerMD Public

    Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics.

    Python 19 10

  2. cmeutils cmeutils Public

    Useful functions by and for the CME lab

    Python 3 11

  3. msibi msibi Public

    Forked from mosdef-hub/msibi

    A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)

    Python 6 3

  4. grits grits Public

    A toolkit for working with coarse-grain systems

    Python 7 10

  5. morphct morphct Public

    Python 6

  6. GIXStapose GIXStapose Public

    An interactive structure viewer alongside its simulated diffraction pattern

    Python 18 11

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