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  1. gmx_MMPBSA gmx_MMPBSA Public

    gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

    Python 271 77

  2. AutoDockTools_py3 AutoDockTools_py3 Public

    Python3 translation of AutoDockTools

    Python 123 30

  3. AMDock AMDock Public

    (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

    Python 70 18

  4. AMDock-win AMDock-win Public

    (Windows) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

    Python 67 22

  5. Making-it-rain Making-it-rain Public

    Forked from pablo-arantes/making-it-rain

    Cloud-based molecular simulations for everyone

    Rich Text Format 7 3

  6. NbThermo NbThermo Public

    NbThermo is a database of nanobodies melting temperature

    TypeScript 5

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