2 citations · 2 across the 3 of their papers we have counts for
3 papers · 1 filter
De novo molecular generation with optical property preconditioning at the token level
Haozhe Huang, Manuel Gonzalez Lastre, Hyun Suk Park +3
Designing OLED molecules with targeted optical properties remains challenging due to the scarcity of high-quality data and the limited reliability of conditional control in generat…
Guiding Generative Models to Uncover Diverse and Novel Crystals via Reinforcement Learning
Hyunsoo Park, Aron Walsh
Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the…
Continuous SUN (Stable, Unique, and Novel) Metric for Generative Modeling of Inorganic Crystals
Masahiro Negishi, Hyunsoo Park, Kinga O. Mastej +1
To address pressing scientific challenges such as climate change, increasingly sophisticated generative models are being developed to efficiently sample the large chemical space of…