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  1. install_guide install_guide Public

  2. tutorial tutorial Public

  3. IonGen IonGen Public

    IonGen is a repository for generating de novo organic ions.

    Python

  4. ML4IL ML4IL Public

    ML4IL is a repository about predictive machine learning models for ionic liquids. Currently, models for predicting cellulose solubility and melting point of ionic liquids have been developed.

    Jupyter Notebook

  5. IL_MD IL_MD Public

    IL_MD is a repository of an aotomatic workflow for running MD simulation of cellulose fibril in ionic liquids using gromacs

    Python