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Popular repositories Loading

  1. AD-GPU_set_of_42 AD-GPU_set_of_42 Public

    Set of 42 protein-ligand complexes for testing search algorithms and docking runtime

    10 1

  2. write-autogrid-config write-autogrid-config Public

    Python 4 1

  3. AutoDock-GPU AutoDock-GPU Public

    Forked from ccsb-scripps/AutoDock-GPU

    AutoDock for GPUs using OpenCL

    C++ 2 1

  4. AutoDock-Vina AutoDock-Vina Public

    Forked from ccsb-scripps/AutoDock-Vina

    AutoDock Vina

    C++ 1 1

  5. git-tutorial git-tutorial Public

    1

  6. SAMPL5-DC-surface-empirical SAMPL5-DC-surface-empirical Public

    Estimates (1) free energy of hydration, (2) free energy of solvation in cyclohexane and (3) cyclohexane/water partition coefficient.

    Python