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1. MAE-250H MAE-250H Public

   Numerical Methods for Incompressible Flows

   Python 2

2. graph-network-analysis graph-network-analysis Public

   Python

3. atomate2 atomate2 Public

   Forked from materialsproject/atomate2

   atomate2 is a library of computational materials science workflows

   Python

4. CrystaLattE CrystaLattE Public

   Forked from carlosborca/CrystaLattE

   Set of scripts to automate the calculation of crystal lattice energies.

   Python

5. U_pol U_pol Public

   Calculate polarization energy term for molecular dynamics potentials

   Python 1

6. XML_REFORMAT XML_REFORMAT Public

   Sort, Merge, and Reformat any number of OpenMM XML files produced by LigParGen

   Python