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1. MMoCa MMoCa Public

   MMoCa is a Multi-purpose Monte Carlo simulation package for molecular systems

   Fortran

2. snurr-group/gRASPA snurr-group/gRASPA Public

   GPU Monte Carlo Simulation Code with a taste of RASPA

   C++ 40 6

3. snurr-group/2D-energy-histogram snurr-group/2D-energy-histogram Public

   R implementation of machine learning using 2D energy histogram features for prediction of adsorption capacity

   C++ 8 1

4. Ternary-Phase-Diagram Ternary-Phase-Diagram Public

   MATLAB code to construct the ternary phase diagram for polymer/solvent/non-solvent system using Flory-Huggins theory

   MATLAB 3

5. Spherical-Pressure-Tensor Spherical-Pressure-Tensor Public

   FORTRAN code for calculating local pressure tensor in spherical coordinates. Examples here are for hard sphere fluids and TIP4P/Ice water

   Jupyter Notebook 3