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Retrieval-based Controllable Molecule Generation

International Conference on Learning Representations (ICLR), 2022

23 August 2022

Richard Baraniuk

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Papers citing "Retrieval-based Controllable Molecule Generation"

34 / 34 papers shown

Title
REIS: A High-Performance and Energy-Efficient Retrieval System with In-Storage ProcessingInternational Symposium on Computer Architecture (ISCA), 2025 Kangqi Chen Andreas Kosmas Kakolyris Rakesh Nadig Manos Frouzakis Nika Mansouri-Ghiasi Yu Liang Haiyu Mao Mohammad Sadrosadati Mohammad Sadrosadati Onur Mutlu RALM 189 0 0 19 Jun 2025
Reimagining Target-Aware Molecular Generation through Retrieval-Enhanced Aligned Diffusion Dong Xu Zhangfan Yang Ka-chun Wong Zexuan Zhu Jiangqiang Li Junkai Ji DiffM 145 1 0 17 Jun 2025
BioMol-MQA: A Multi-Modal Question Answering Dataset For LLM Reasoning Over Bio-Molecular Interactions Saptarshi Sengupta Shuhua Yang Paul Kwong Yu Fali Wang Suhang Wang 173 1 0 06 Jun 2025
LLMs for Supply Chain Management Haojie Wang Jiuyun Jiang L. Jeff Hong Guangxin Jiang 170 0 0 24 May 2025
Accelerating Causal Network Discovery of Alzheimer Disease Biomarkers via Scientific Literature-based Retrieval Augmented Generation Xiaofan Zhou Liangjie Huang Pinyang Cheng Wenpen Yin Rui Zhang Wenrui Hao Lu Cheng 204 0 0 01 Apr 2025
InversionGNN: A Dual Path Network for Multi-Property Molecular OptimizationInternational Conference on Learning Representations (ICLR), 2025 Yifan Niu Ziqi Gao Qifeng Bai Yang Liu Yatao Bian Yu Rong Junzhou Huang Jia Li 248 1 0 03 Mar 2025
RANGE: Retrieval Augmented Neural Fields for Multi-Resolution Geo-EmbeddingsComputer Vision and Pattern Recognition (CVPR), 2025 Aayush Dhakal Srikumar Sastry Subash Khanal Adeel Ahmad Eric Xing Nathan Jacobs 343 5 0 27 Feb 2025
ReasonFlux: Hierarchical LLM Reasoning via Scaling Thought Templates L. Yang Zhaochen Yu Tengjiao Wang Mengdi Wang ReLM LRM AI4CE 468 40 0 10 Feb 2025
Molecule Generation with Fragment Retrieval AugmentationNeural Information Processing Systems (NeurIPS), 2024 Seul Lee Karsten Kreis Srimukh Prasad Veccham Meng Liu Danny Reidenbach Saee Paliwal Arash Vahdat Weili Nie VLM 243 16 0 18 Nov 2024
Diffusion Twigs with Loop Guidance for Conditional Graph GenerationNeural Information Processing Systems (NeurIPS), 2024 Giangiacomo Mercatali Yogesh Verma André Freitas Vikas Garg 204 5 0 31 Oct 2024
Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert KnowledgeNeural Information Processing Systems (NeurIPS), 2024 Heewoong Noh Namkyeong Lee Gyoung S. Na Chanyoung Park 210 5 0 28 Oct 2024
Retrieval Augmented Diffusion Model for Structure-informed Antibody Design and OptimizationInternational Conference on Learning Representations (ICLR), 2024 Zichen Wang Yaokun Ji Jianing Tian Shuangjia Zheng DiffM 612 4 0 19 Oct 2024
UniMoT: Unified Molecule-Text Language Model with Discrete Token RepresentationInternational Joint Conference on Artificial Intelligence (IJCAI), 2024 Jiayuan Zhu Yunli Qi Yongqiang Chen Nan Yin Zhen Wang Quanming Yao 302 19 0 01 Aug 2024
Small Molecule Optimization with Large Language Models Philipp Guevorguian Menua Bedrosian Tigran Fahradyan Gayane Chilingaryan Hrant Khachatrian Armen Aghajanyan 173 6 0 26 Jul 2024
Buffer of Thoughts: Thought-Augmented Reasoning with Large Language ModelsNeural Information Processing Systems (NeurIPS), 2024 Ling Yang Zhaochen Yu Tianjun Zhang Shiyi Cao Minkai Xu Wentao Zhang Joseph E. Gonzalez Bin Cui LLMAG LM&Ro LRM KELM 265 74 0 06 Jun 2024
Source Code Foundation Models are Transferable Binary Analysis Knowledge Bases Zian Su Xiangzhe Xu Ziyang Huang Kaiyuan Zhang Xiangyu Zhang 149 10 0 30 May 2024
3M-Diffusion: Latent Multi-Modal Diffusion for Text-Guided Generation of Molecular Graphs Huaisheng Zhu Teng Xiao V. Honavar DiffM 136 5 0 11 Mar 2024
Semantic Feature Learning for Universal Unsupervised Cross-Domain RetrievalNeural Information Processing Systems (NeurIPS), 2024 Lixu Wang Xinyu Du Qi Zhu 181 0 0 08 Mar 2024
Reliable, Adaptable, and Attributable Language Models with Retrieval Akari Asai Zexuan Zhong Danqi Chen Pang Wei Koh Luke Zettlemoyer Hanna Hajishirzi Anuj Kumar KELM RALM 261 79 0 05 Mar 2024
Retrieval-Augmented Generation for AI-Generated Content: A Survey Penghao Zhao Hailin Zhang Qinhan Yu Zhengren Wang Yunteng Geng Fangcheng Fu Ling Yang Wentao Zhang Jie Jiang Tengjiao Wang 3DV 836 426 0 29 Feb 2024
MolPLA: A Molecular Pretraining Framework for Learning Cores, R-Groups and their Linker Joints Mogan Gim Jueon Park Soyon Park Sanghoon Lee Seungheun Baek Junhyun Lee Ngoc-Quang Nguyen Jaewoo Kang AI4CE 86 0 0 30 Jan 2024
Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled Shengchao Liu Chengpeng Wang Jiarui Lu Weili Nie Hanchen Wang Zhuoxinran Li Bolei Zhou Jian Tang 186 3 0 29 Jan 2024
RealGen: Retrieval Augmented Generation for Controllable Traffic Scenarios Wenhao Ding Yulong Cao Ding Zhao Chaowei Xiao Marco Pavone 135 41 0 19 Dec 2023
Thought Propagation: An Analogical Approach to Complex Reasoning with Large Language ModelsInternational Conference on Learning Representations (ICLR), 2023 Junchi Yu Xiao-Yu Zhang Rex Ying LRM 366 38 0 06 Oct 2023
Drug Discovery with Dynamic Goal-aware FragmentsInternational Conference on Machine Learning (ICML), 2023 Seul Lee Seanie Lee Kenji Kawaguchi Sung Ju Hwang 301 15 0 02 Oct 2023
On the Equivalence of Graph Convolution and Mixup Xiaotian Han Hanqing Zeng Yu Chen Shaoliang Nie Jingzhou Liu ... Karthik Abinav Sankararaman Song Jiang Madian Khabsa Qifan Wang Helen Zhou 215 1 0 29 Sep 2023
ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback Shengchao Liu Zhenghao Hu Yijin Yang Chengpeng Wang Ling Liu Hongyu Guo Chaowei Xiao LM&MA KELM AI4MH 183 42 0 29 May 2023
GraphVF: Controllable Protein-Specific 3D Molecule Generation with Variational Flow Fangce Sun Zhihao Zhan Hongyu Guo Ming Zhang Jian Tang 157 7 0 23 Feb 2023
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation Clément Vignac Nagham Osman Laura Toni P. Frossard DiffM 244 92 0 17 Feb 2023
PrefixMol: Target- and Chemistry-aware Molecule Design via Prefix Embedding Zhangyang Gao Yuqi Hu Cheng Tan Stan Z. Li 244 17 0 14 Feb 2023
Domain-Agnostic Molecular Generation with Chemical FeedbackInternational Conference on Learning Representations (ICLR), 2023 Yin Fang Ningyu Zhang Zhuo Chen Lingbing Guo Xiaohui Fan Huajun Chen 277 25 0 26 Jan 2023
Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing Shengchao Liu Weili Nie Chengpeng Wang Jiarui Lu Zhuoran Qiao Ling Liu Jian Tang Chaowei Xiao Anima Anandkumar 226 218 0 21 Dec 2022
Computer-Aided Multi-Objective Optimization in Small Molecule DiscoveryPatterns (Patterns), 2022 Jenna C. Fromer Connor W. Coley 170 82 0 13 Oct 2022
Billion-scale similarity search with GPUsIEEE Transactions on Big Data (TBD), 2017 Jeff Johnson Matthijs Douze Edouard Grave 821 4,389 0 28 Feb 2017