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Siepmann Group

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  1. desorption desorption Public

    Deep Neural Network Learning of Complex Binary Sorption Equilibria from Molecular Simulation Data

    Jupyter Notebook 6 4

  2. MCCCS_DB MCCCS_DB Public

    Monte Carlo for Complex Chemical Systems - Data Bank

    3 1

  3. PartialMolarProperties PartialMolarProperties Public

    Partial molar properties from molecular simulation using multiple linear regression

    Fortran 1 2

  4. SorbMetaML SorbMetaML Public

    Predicting hydrogen storage in nanoporous materials using meta-learning

    Jupyter Notebook 1 2

  5. SPP_Adsorption SPP_Adsorption Public

    Supporting information for "Adsorption of furan, hexanoic acid, and alkanes in a hierarchical zeolite at reaction conditions: insights from molecular simulations"

    Fortran 1

  6. mcccs-proc mcccs-proc Public

    Job execution and farming scripts for MCCCS-MN

    Python 1

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