Pixel Chem: A Representation for Predicting Material Properties with Neural Network

no code implementations • 27 Sep 2018 • Shuqian Ye, Yanheng Xu, Jiechun Liang, Hao Xu, Shuhong Cai, Shixin Liu, Xi Zhu

In this work we developed a new representation of the chemical information for the machine learning models, with benefits from both the real space (R-space) and energy space (K-space).

BIG-bench Machine Learning