2 papers
cs.LG2026
OLEDLM: A Unified Language Model for OLED Molecular Design
Fukang Wen, Yuchong Tang, Jingyuan Li +9
The development of organic light-emitting diode (OLED) materials faces the compounded challenges of an astronomically large chemical space, stringent quantum-chemical constraints,…
cs.LG2025
MolSculpt: Sculpting 3D Molecular Geometries from Chemical Syntax
Zhanpeng Chen, Weihao Gao, Shunyu Wang +3
Generating precise 3D molecular geometries is crucial for drug discovery and material science. While prior efforts leverage 1D representations like SELFIES to ensure molecular vali…