212 citations · 345 across the 2 of their papers we have counts for
2 papers
cs.LG2019★ 133 cited
Molecular geometry prediction using a deep generative graph neural network
Elman Mansimov, Omar Mahmood, Seokho Kang +1
A molecule's geometry, also known as conformation, is one of a molecule's most important properties, determining the reactions it participates in, the bonds it forms, and the inter…
cs.LG2018★ 212 cited
Conditional molecular design with deep generative models
Seokho Kang, Kyunghyun Cho
Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficient…