no code implementations • 12 Nov 2019 • Yabo Dan, Yong Zhao, Xiang Li, Shaobo Li, Ming Hu, Jianjun Hu
The percentage of chemically valid (charge neutral and electronegativity balanced) samples out of all generated ones reaches 84. 5% by our GAN when trained with materials from ICSD even though no such chemical rules are explicitly enforced in our GAN model, indicating its capability to learn implicit chemical composition rules.