The Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA ... This is because the solute dielectric constant is set to 1 (vaccum) due to the explicit consideration of polarization in QM/MM ...
Restricted Boltzmann Machine (RBM) is an energy-based, undirected graphical model. It is commonly used for unsupervised and supervised machine learning. Typically, RBM is trained using contrastive ...