To calculate Vina and SASA features, you should install mgltools, msms and a modified version of AutoDock Vina. To obatin deltaVinaRF predicted scores, you should also install R and its randomForest ...

This will expose the command pylsp on your PATH. Confirm that installation succeeded by running pylsp --help. If the respective dependencies are found, the following ...

I have this idea of a communal brain.” David Baker, PhD, told me as I sat in his office at the University of Washington (UW) ...