Computational Materials Engineering Laboratory

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1. flowerMD flowerMD Public

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

   Python 26 15

2. cmeutils cmeutils Public

   Useful functions by and for the CME lab

   Python 3 13

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 2 9

6. GIXStapose GIXStapose Public

   An interactive structure viewer alongside its simulated diffraction pattern

   Python 19 11