Generating $\pi$-Functional Molecules Using STGG+ with Active Learning

Alexia Jolicoeur-Martineau, Yan Zhang, Boris Knyazev, Aristide Baratin, Cheng-Hao Liu

Published: 06 Mar 2025, Last Modified: 08 Apr 2025ICLR 2025 Workshop XAI4ScienceEveryoneRevisionsBibTeXCC BY 4.0
Submission Number: 54