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@MaginnGroup

Maginn Research Group

Research group for Prof. Edward Maginn

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  1. Cassandra Cassandra Public

    Cassandra is a Monte Carlo package to conduct atomistic simulations.

    Fortran 43 20

  2. mosdef_cassandra mosdef_cassandra Public

    MoSDeF compatible wrapper for Cassandra Monte Carlo code

    Python 12 13

  3. PyLAT PyLAT Public

    Python 108 55

Repositories

Showing 10 of 23 repositories
  • ES-FFO Public Forked from dowlinglab/HFC-FFO

    Machine Learning Enabled Development of Accurate Force Fields for Electrolyte Solvents

    MaginnGroup/ES-FFO’s past year of commit activity
    Jupyter Notebook 0 1 0 0 Updated Apr 24, 2025
  • ACAL Public
    MaginnGroup/ACAL’s past year of commit activity
    Python 0 1 0 0 Updated Dec 28, 2024
  • mosdef_cassandra Public

    MoSDeF compatible wrapper for Cassandra Monte Carlo code

    MaginnGroup/mosdef_cassandra’s past year of commit activity
    Python 12 MIT 13 14 3 Updated Nov 12, 2024
  • CHCL-article-2024 Public Forked from atoms-ufrj/CHCL-article-2024
    MaginnGroup/CHCL-article-2024’s past year of commit activity
    Python 1 1 0 0 Updated Oct 14, 2024
  • syringic_acid_KBI Public

    Github repository associated with the manuscript: Understanding Solute-Hydrotrope Aggregation in Aqueous Solutions: A Molecular Dynamics Approach

    MaginnGroup/syringic_acid_KBI’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Sep 24, 2024
  • ViscAL Public
    MaginnGroup/ViscAL’s past year of commit activity
    Python 0 0 0 0 Updated Jul 25, 2024
  • Sigmaussian Public
    MaginnGroup/Sigmaussian’s past year of commit activity
    Python 3 0 0 0 Updated Jul 25, 2024
  • SP_ML_CC Public

    GitHub Repository for "Sigma Profiles in Deep Learning: Towards a Universal Molecular Descriptor"

    MaginnGroup/SP_ML_CC’s past year of commit activity
    Python 12 MIT 2 0 0 Updated Jul 25, 2024
  • GSP Public
    MaginnGroup/GSP’s past year of commit activity
    Python 1 1 1 0 Updated Jul 25, 2024
  • Cassandra Public

    Cassandra is a Monte Carlo package to conduct atomistic simulations.

    MaginnGroup/Cassandra’s past year of commit activity
    Fortran 43 GPL-3.0 20 36 4 Updated May 10, 2024
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