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 ...

Sadly, a need for constant attention often makes it hard to maintain a decent, drama-free relationship. Worried that the man you’re seeing constantly needs female attention and validation?

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 ...

It is one of the most important laws of nature that we know: The famous second law of thermodynamics says that the world gets more and more disordered when random chance is at play. Or, to put it ...

The fastest and most memory efficient lattice Boltzmann CFD software, running on all GPUs and CPUs via OpenCL. Free for non-commercial use.

Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou 310058, Zhejiang, China ...