Smina is a fork of AutoDock Vina that is customized to better support scoring function development and high-performance energy minimization. Jupyter Dock can run such binaries in a notebook, giving users more options. Despite the presence of Python bindings in AutoDock Vina 1.2.0, other tools that incorporate AutoDock Vina allow for cool features such as custom score functions (smina), fast execution (qvina), and the use of wider boxes (qvina-w).
