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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 12 8

  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 5 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 46 repositories
  • flowerMD Public

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

    cmelab/flowerMD’s past year of commit activity
    Python 12 GPL-3.0 8 13 (4 issues need help) 1 Updated Nov 11, 2024
  • SIC Public

    Determining why during ultrasonic welding where there is higher crystallinity at the weld interface with higher amplitudes of vibration.

    cmelab/SIC’s past year of commit activity
    Jupyter Notebook 0 1 1 0 Updated Oct 23, 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) 3 Updated Oct 21, 2024
  • quantumDNA Public
    cmelab/quantumDNA’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Oct 18, 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 5 3 Updated Oct 7, 2024
  • GIXStapose Public

    An interactive structure viewer alongside its simulated diffraction pattern

    cmelab/GIXStapose’s past year of commit activity
    Python 16 BSD-3-Clause 11 2 2 Updated Oct 7, 2024
  • Molecule_random_walk Public

    A random walk of molecules to circumvent shrinkage step.

    cmelab/Molecule_random_walk’s past year of commit activity
    Jupyter Notebook 0 0 1 0 Updated Sep 5, 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 5 MIT 13 1 0 Updated Aug 22, 2024
  • forcefields Public
    cmelab/forcefields’s past year of commit activity
    Jupyter Notebook 1 2 5 0 Updated Jul 29, 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
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