Poster "molecule generation" Papers
11 papers found
Conference
DMol: A Highly Efficient and Chemical Motif-Preserving Molecule Generation Platform
Peizhi Niu, Yu-Hsiang Wang, Vishal Rana et al.
NEURIPS 2025arXiv:2504.06312
1
citations
Fast Direct: Query-Efficient Online Black-box Guidance for Diffusion-model Target Generation
Kim Yong Tan, YUEMING LYU, Ivor Tsang et al.
ICLR 2025arXiv:2502.01692
3
citations
Learning Diffusion Models with Flexible Representation Guidance
Chenyu Wang, Cai Zhou, Sharut Gupta et al.
NEURIPS 2025arXiv:2507.08980
5
citations
MAGNet: Motif-Agnostic Generation of Molecules from Scaffolds
Leon Hetzel, Johanna Sommer, Bastian Rieck et al.
ICLR 2025
2
citations
Reframing Structure-Based Drug Design Model Evaluation via Metrics Correlated to Practical Needs
Bowen Gao, Haichuan Tan, Yanwen Huang et al.
ICLR 2025
The Superposition of Diffusion Models Using the Itô Density Estimator
Marta Skreta, Lazar Atanackovic, Joey Bose et al.
ICLR 2025arXiv:2412.17762
28
citations
D-Flow: Differentiating through Flows for Controlled Generation
Heli Ben-Hamu, Omri Puny, Itai Gat et al.
ICML 2024arXiv:2402.14017
75
citations
Entropy-Reinforced Planning with Large Language Models for Drug Discovery
Xuefeng Liu, Chih-chan Tien, Peng Ding et al.
ICML 2024arXiv:2406.07025
7
citations
Feedback Efficient Online Fine-Tuning of Diffusion Models
Masatoshi Uehara, Yulai Zhao, Kevin Black et al.
ICML 2024arXiv:2402.16359
44
citations
Graph Generation with Diffusion Mixture
Jaehyeong Jo, Dongki Kim, Sung Ju Hwang
ICML 2024arXiv:2302.03596
39
citations
Projecting Molecules into Synthesizable Chemical Spaces
Shitong Luo, Wenhao Gao, Zuofan Wu et al.
ICML 2024arXiv:2406.04628
22
citations