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Popular repositories Loading

  1. MD_Scripts_2023_PhD MD_Scripts_2023_PhD Public

    Repository with scripts for GROMACS and other MD type scripts, based on my PhD work (2023)

  2. git_test git_test Public

  3. MPI_VINA_Scripts MPI_VINA_Scripts Public

    PhD, Vina Scripts for use by the group

    Python

  4. SystematicMutagenesis_Ligand_Docking_Analysis SystematicMutagenesis_Ligand_Docking_Analysis Public

    Requires installation of Schrodinger Maestro, likely version 2022-1 and newer.

    Python

  5. Vina_Ona_Repo Vina_Ona_Repo Public

    MPI Vina, through Python modules

    Python

  6. Vina_ML_Pipeline Vina_ML_Pipeline Public

    Machine Learning Pipeline to Train on Fingerprint Data

    Python