Jeff Guo

18 papers A* 2Journal 16
YearRankTypeTitle / Venue / Authors
2026 J jnl
TANGO: direct optimization of constrained synthesizability for generative molecular design.
Nat. Comput. Sci.
Jeff Guo, Philippe Schwaller
2025 J jnl
Evaluating Large Language Models in Scientific Discovery.
CoRR
Zhangde Song, Jieyu Lu, Yuanqi Du, Botao Yu, Thomas M. Pruyn, Yue Huang, Kehan Guo, Xiuzhe Luo, Yuanhao Qu, Yi Qu, Yinkai Wang, Haorui Wang, Jeff Guo, Jingru Gan, Parshin Shojaee, Di Luo, Andres M. Bran, Gen Li, Qiyuan Zhao, Shao-Xiong Lennon Luo, Yuxuan Zhang, Xiang Zou, Wanru Zhao, Yifan F. Zhang, Wucheng Zhang, Shunan Zheng, Saiyang Zhang, Sartaaj Takrim Khan, Mahyar Rajabi Kochi, Samantha Paradi-Maropakis, Tony Baltoiu, Fengyu Xie, Tianyang Chen, Kexin Huang, Weiliang Luo, Meijing Fang, Xin Yang, Lixue Cheng, Jiajun He, Soha Hassoun, Xiangliang Zhang, Wei Wang, Chandan K. Reddy, Chao Zhang, Zhiling Zheng, Mengdi Wang, Le Cong, Carla P. Gomes, Chang-Yu Hsieh, Aditya Nandy, Philippe Schwaller, Heather J. Kulik, Haojun Jia, Huan Sun, Seyed Mohamad Moosavi, Chenru Duan
2025 J jnl
Generative Molecular Design with Steerable and Granular Synthesizability Control.
CoRR
Jeff Guo, Victor Sabanza Gil, Zlatko Joncev, Jeremy S. Luterbacher, Philippe Schwaller
2025 J jnl
KL-Regularized Reinforcement Learning is Designed to Mode Collapse.
CoRR
Anthony GX-Chen, Jatin Prakash, Jeff Guo, Rob Fergus, Rajesh Ranganath
2025 A* conf
LLM-Augmented Chemical Synthesis and Design Decision Programs.
ICML
Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang
2025 J jnl
LLM-Augmented Chemical Synthesis and Design Decision Programs.
CoRR
Haorui Wang, Jeff Guo, Lingkai Kong, Rampi Ramprasad, Philippe Schwaller, Yuanqi Du, Chao Zhang
2024 A* conf
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design.
ICLR
Jeff Guo, Philippe Schwaller
2024 J jnl
It Takes Two to Tango: Directly Optimizing for Constrained Synthesizability in Generative Molecular Design.
CoRR
Jeff Guo, Philippe Schwaller
2024 J jnl
Machine learning-aided generative molecular design.
Nat. Mac. Intell.
Yuanqi Du, Arian R. Jamasb, Jeff Guo, Tianfan Fu, Charles Harris, Yingheng Wang, Chenru Duan, Pietro Liò, Philippe Schwaller, Tom L. Blundell
2024 J jnl
Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation.
CoRR
Jeff Guo, Philippe Schwaller
2024 J jnl
Tango*: Constrained synthesis planning using chemically informed value functions.
CoRR
Daniel P. Armstrong, Zlatko Joncev, Jeff Guo, Philippe Schwaller
2023 J jnl
Augmented Memory: Capitalizing on Experience Replay to Accelerate De Novo Molecular Design.
CoRR
Jeff Guo, Philippe Schwaller
2023 J jnl
Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design.
CoRR
Jeff Guo, Philippe Schwaller
2022 J jnl
Author Correction: Improving de novo molecular design with curriculum learning.
Nat. Mach. Intell.
Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov
2022 J jnl
Icolos: a workflow manager for structure-based post-processing of
Bioinform.
James Harry Moore, Matthias R. Bauer, Jeff Guo, Atanas Patronov, Ola Engkvist, Christian Margreitter
2022 J jnl
Improving de novo molecular design with curriculum learning.
Nat. Mach. Intell.
Jeff Guo, Vendy Fialková, Juan Diego Arango, Christian Margreitter, Jon Paul Janet, Kostas Papadopoulos, Ola Engkvist, Atanas Patronov
2021 J jnl
DockStream: a docking wrapper to enhance de novo molecular design.
J. Cheminformatics
Jeff Guo, Jon Paul Janet, Matthias R. Bauer, Eva Nittinger, Kathryn A. Giblin, Kostas Papadopoulos, Alexey Voronov, Atanas Patronov, Ola Engkvist, Christian Margreitter
2009 J jnl
Dimensionality reduction for knowledge discovery in medical claims database: Application to antidepressant medication utilization study.
Comput. Methods Programs Biomed.
Samuel H. Huang, Lawson R. Wulsin, Hua Li, Jeff Guo