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@MaginnGroup

Maginn Research Group

Research group for Prof. Edward Maginn

Pinned

  1. Cassandra Cassandra Public

    Cassandra is a Monte Carlo package to conduct atomistic simulations.

    Fortran 37 20

  2. mosdef_cassandra mosdef_cassandra Public

    MoSDeF compatible wrapper for Cassandra Monte Carlo code

    Python 11 13

  3. PyLAT PyLAT Public

    Python 95 49

Repositories

Showing 10 of 19 repositories
  • mosdef_cassandra Public

    MoSDeF compatible wrapper for Cassandra Monte Carlo code

    MaginnGroup/mosdef_cassandra’s past year of commit activity
    Python 11 MIT 13 14 4 Updated Jun 3, 2024
  • ViscAL Public
    MaginnGroup/ViscAL’s past year of commit activity
    Python 0 0 0 0 Updated May 23, 2024
  • Cassandra Public

    Cassandra is a Monte Carlo package to conduct atomistic simulations.

    MaginnGroup/Cassandra’s past year of commit activity
    Fortran 37 GPL-3.0 20 36 4 Updated May 10, 2024
  • Sigmaussian Public
    MaginnGroup/Sigmaussian’s past year of commit activity
    Python 0 0 0 0 Updated Mar 6, 2024
  • Polarizable-GAFF-input-files Public
    MaginnGroup/Polarizable-GAFF-input-files’s past year of commit activity
    0 0 0 0 Updated Feb 13, 2024
  • GSP Public
    MaginnGroup/GSP’s past year of commit activity
    Python 0 1 0 0 Updated Dec 7, 2023
  • CECAM-workshop Public
    MaginnGroup/CECAM-workshop’s past year of commit activity
    Jupyter Notebook 1 0 0 0 Updated Sep 28, 2023
  • Validation-of-HFC-FFs Public

    This repository provides sample LAMMPS input, output and post-processing files/scripts for the paper on FF validation of R32 and R125 MLD-tuned FFs.

    MaginnGroup/Validation-of-HFC-FFs’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Sep 21, 2023
  • HREX-workflow-source-code Public

    Example files for Gromacs and scripts of HREX workflow

    MaginnGroup/HREX-workflow-source-code’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Sep 5, 2023
  • widom_IL_examples Public

    Examples showing how to perform Widom insertions with Cassandra on a trajectory generated by LAMMPS

    MaginnGroup/widom_IL_examples’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Aug 8, 2023
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