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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 11 7

  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 4 3

  4. grits grits Public

    A toolkit for working with coarse-grain systems

    Python 5 9

  5. morphct morphct Public

    Python 6

  6. GIXStapose GIXStapose Public

    An interactive structure viewer alongside its simulated diffraction pattern

    Python 16 11

Repositories

Showing 10 of 44 repositories
  • cmelab/quantumDNA’s past year of commit activity
    0 1 0 0 Updated Jul 25, 2024
  • cmelab/forcefields’s past year of commit activity
    Jupyter Notebook 1 2 5 0 Updated Jul 25, 2024
  • flowerMD Public

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

    cmelab/flowerMD’s past year of commit activity
    Python 11 GPL-3.0 7 11 (4 issues need help) 1 Updated Jul 23, 2024
  • msibi Public Forked from mosdef-hub/msibi

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

    cmelab/msibi’s past year of commit activity
    Python 4 MIT 12 2 0 Updated Jul 20, 2024
  • containers Public

    Containerized software stacks for the Computational Materials Science Lab

    cmelab/containers’s past year of commit activity
    0 GPL-3.0 4 0 0 Updated Jul 18, 2024
  • cmeutils Public

    Useful functions by and for the CME lab

    cmelab/cmeutils’s past year of commit activity
    Python 3 GPL-3.0 11 9 (2 issues need help) 4 Updated Jul 5, 2024
  • grits Public

    A toolkit for working with coarse-grain systems

    cmelab/grits’s past year of commit activity
    Python 5 GPL-3.0 9 4 2 Updated Jun 26, 2024
  • cmelab/ellipsoid_orientations’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 30, 2024
  • morphct Public
    cmelab/morphct’s past year of commit activity
    Python 0 GPL-3.0 6 12 4 Updated May 30, 2024
  • notebook_tutorials Public

    A home for the Jupyter notebook tutorials created by and for our lab

    cmelab/notebook_tutorials’s past year of commit activity
    Jupyter Notebook 1 GPL-3.0 6 9 (3 issues need help) 1 Updated May 21, 2024

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