The water solubility of molecules is one of the most important properties in various chemical and medical research fields. Recently, machine learning-based methods for predicting molecular properties, ...

High sparse Knowledge Graph is a key challenge to solve the Knowledge Graph Completion task. Due to the sparsity of the KGs, there are not enough first-order neighbors to learn the features of ...

A graph-based order parameter, based on the topology of the graph itself, is introduced for the characterization of atomistic structures. The order parameter is universal to any material/chemical ...