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cs.LG2022
MGCVAE: Multi-objective Inverse Design via Molecular Graph Conditional Variational Autoencoder
Myeonghun Lee, Kyoungmin Min
The ultimate goal of various fields is to directly generate molecules with desired properties, such as finding water-soluble molecules in drug development and finding molecules sui…
cond-mat.mtrl-sci2022★ 8 cited
Machine Learning-Aided Discovery of Superionic Solid-State Electrolyte for Li-Ion Batteries
Seungpyo Kang, Minseon Kim, Kyoungmin Min
Li-Ion Solid-State Electrolytes (Li-SSEs) are a promising solution that resolves the critical issues of conventional Li-Ion Batteries (LIBs) such as poor ionic conductivity, interf…