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  1. GeneticAlgorithms GeneticAlgorithms Public

    C 1

  2. COVID_VS_analysis COVID_VS_analysis Public

    Scripts to run and analyze PELE simulations for COVI virtual screening studies

    Python 1

  3. peleffy peleffy Public

    The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.

    Python 12 8

  4. peleffy-benchmarks peleffy-benchmarks Public

    A compilation of benchmarks to validate the parameterization of peleffy (PELE Force Field Yielder).

    Jupyter Notebook