The Atomistic Line Graph Neural Network (paper) introduces a graph convolution layer that explicitly models both two- and three-body interactions in atomistic systems. The ALIGNN-FF variant (paper) ...
Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. The solubility of chemical substances in water is a critical parameter in ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results