"molecule generation" Papers
8 papers found
Learning Diffusion Models with Flexible Representation Guidance
Chenyu Wang, Cai Zhou, Sharut Gupta et al.
NeurIPS 2025posterarXiv:2507.08980
5
citations
MAGNet: Motif-Agnostic Generation of Molecules from Scaffolds
Leon Hetzel, Johanna Sommer, Bastian Rieck et al.
ICLR 2025poster
2
citations
D-Flow: Differentiating through Flows for Controlled Generation
Heli Ben-Hamu, Omri Puny, Itai Gat et al.
ICML 2024poster
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
Xuefeng Liu, Chih-chan Tien, Peng Ding et al.
ICML 2024poster
Feedback Efficient Online Fine-Tuning of Diffusion Models
Masatoshi Uehara, Yulai Zhao, Kevin Black et al.
ICML 2024poster
Graph Generation with Diffusion Mixture
Jaehyeong Jo, Dongki Kim, Sung Ju Hwang
ICML 2024poster
Projecting Molecules into Synthesizable Chemical Spaces
Shitong Luo, Wenhao Gao, Zuofan Wu et al.
ICML 2024poster
Representing Molecules as Random Walks Over Interpretable Grammars
Michael Sun, Minghao Guo, Weize Yuan et al.
ICML 2024spotlight