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  1. MAE-250H Public

    Numerical Methods for Incompressible Flows

    Python 2

  2. graph-network-analysis Public

    Python

  3. atomate2 Public

    Forked from materialsproject/atomate2

    atomate2 is a library of computational materials science workflows

    Python

  4. CrystaLattE Public

    Forked from carlosborca/CrystaLattE

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

    Python

  5. U_pol Public

    Calculate polarization energy term for molecular dynamics potentials

    Python 1

  6. XML_REFORMAT Public

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

    Python

249 contributions in the last year

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Contribution activity

March 2025

Created 1 commit in 1 repository
Opened 3 pull requests in 2 repositories
Reviewed 2 pull requests in 1 repository
materialsproject/atomate2 2 pull requests
Started 1 discussion in 1 repository
MDAnalysis/mdanalysis
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