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  1. pyIAST pyIAST Public

    Ideal Adsorbed Solution Theory

    Jupyter Notebook 49 32

  2. PREOS PREOS Public

    Peng-Robinson Equation of State

    Python 34 18

  3. HenryCoefficient HenryCoefficient Public

    Computes the Henry coefficient of methane in IRMOF-1

    Cuda 9 5

  4. EmptyBox EmptyBox Public

    Monte Carlo simulations of grand-canonical Monte Carlo in an empty box with a uniform background energy field

    C++ 5 4

  5. XeKrMOFAdsorptionSurvey XeKrMOFAdsorptionSurvey Public

    Database of reported pure-component Xe and Kr adsorption isotherms in MOFs and porous organic cage materials

    Jupyter Notebook 4 2

  6. IsingModel IsingModel Public

    Monte Carlo simulations of Ising Model in Canonical Ensemble

    Jupyter Notebook 3 7

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February 2025

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