What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks

27 May 2023

Papers citing "What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks"

36 / 36 papers shown

Title
CodePDE: An Inference Framework for LLM-driven PDE Solver Generation Shanda Li Tanya Marwah Junhong Shen W. Sun Andrej Risteski Yiming Yang Ameet Talwalkar AI4CE 39 0 0 13 May 2025
Assessing the Chemical Intelligence of Large Language Models Nicholas T. Runcie Charlotte M. Deane Fergus Imrie ELM LRM 40 0 0 12 May 2025
Bridging AI and Carbon Capture: A Dataset for LLMs in Ionic Liquids and CBE Research Gaurab Sarkar Sougata Saha 30 0 0 11 May 2025
Enhancing Chemical Reaction and Retrosynthesis Prediction with Large Language Model and Dual-task Learning Xuan Lin Qingrui Liu Hongxin Xiang Daojian Zeng Xiangxiang Zeng 40 1 0 05 May 2025
34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery Yoel Zimmermann Adib Bazgir Alexander H Al-Feghali Mehrad Ansari L. C. Brinson ... Shang Zhu Jan Janssen Calvin Li Ian Foster Ben Blaiszik 64 0 0 05 May 2025
Evaluating Effects of Augmented SELFIES for Molecular Understanding Using QK-LSTM Collin Beaudoin Swaroop Ghosh 38 0 0 29 Apr 2025
Rolling Forward: Enhancing LightGCN with Causal Graph Convolution for Credit Bond Recommendation Ashraf Ghiye Baptiste Barreau Laurent Carlier Michalis Vazirgiannis 81 0 0 18 Mar 2025
Bridging Molecular Graphs and Large Language Models Runze Wang Mingqi Yang Yanming Shen 69 0 0 05 Mar 2025
Evaluating Large Language Models for Public Health Classification and Extraction Tasks Joshua Harris Timothy Laurence Leo Loman Fan Grayson Toby Nonnenmacher ... Hamish Mohammed Thomas Finnie Luke Hounsome Michael Borowitz Steven Riley LM&MA AI4MH 83 5 0 20 Feb 2025
Position: Multimodal Large Language Models Can Significantly Advance Scientific Reasoning Yibo Yan Shen Wang Jiahao Huo Jingheng Ye Zhendong Chu Xuming Hu Philip S. Yu Carla P. Gomes B. Selman Qingsong Wen LRM 127 9 0 05 Feb 2025
Knowledge Graph Enhanced Language Agents for Recommendation Taicheng Guo Chaochun Liu Hai Wang Varun Mannam Fang Wang Xin Chen Xiangliang Zhang Chandan K. Reddy 52 2 0 28 Jan 2025
Hypothesis Generation for Materials Discovery and Design Using Goal-Driven and Constraint-Guided LLM Agents Shrinidhi Kumbhar Venkatesh Mishra Kevin Coutinho Divij Handa Ashif Iquebal Chitta Baral 81 5 0 23 Jan 2025
ChemAgent: Self-updating Library in Large Language Models Improves Chemical Reasoning Xiangru Tang Tianyu Hu Muyang Ye Yanjun Shao Xunjian Yin ... Pan Lu Zhuosheng Zhang Yilun Zhao Arman Cohan Mark B. Gerstein LLMAG LRM AI4CE 69 7 0 11 Jan 2025
BioAgents: Democratizing Bioinformatics Analysis with Multi-Agent Systems Nikita Mehandru Amanda K. Hall Olesya Melnichenko Yulia Dubinina Daniel Tsirulnikov David Bamman Ahmed Alaa Scott Saponas Venkat S. Malladi 44 3 0 10 Jan 2025
ChemDFM-X: Towards Large Multimodal Model for Chemistry Zihan Zhao B. Chen Jingpiao Li Lu Chen Liyang Wen ... Ziping Wan Yansi Li Zhongyang Dai Xin Chen Kai Yu AI4CE 53 3 0 03 Jan 2025
LabSafety Bench: Benchmarking LLMs on Safety Issues in Scientific Labs Yujun Zhou Jingdong Yang Kehan Guo Pin-Yu Chen Tian Gao ... Tian Gao Werner Geyer Nuno Moniz Nitesh V Chawla Xiangliang Zhang 43 5 0 18 Oct 2024
Can Large Language Models Analyze Graphs like Professionals? A Benchmark, Datasets and Models Xin Sky Li Weize Chen Qizhi Chu Haopeng Li Zhaojun Sun ... Yiwei Wei Zhiyuan Liu Chuan Shi Maosong Sun Cheng Yang 40 5 0 29 Sep 2024
Efficient Evolutionary Search Over Chemical Space with Large Language Models Haorui Wang Marta Skreta C. Ser Wenhao Gao Lingkai Kong ... Yanqiao Zhu Yuanqi Du Alán Aspuru-Guzik Kirill Neklyudov Chao Zhang 47 12 0 23 Jun 2024
1+1>2: Can Large Language Models Serve as Cross-Lingual Knowledge Aggregators? Yue Huang Chenrui Fan Yuan Li Siyuan Wu Tianyi Zhou Xiangliang Zhang Lichao Sun 53 3 0 20 Jun 2024
Automated Molecular Concept Generation and Labeling with Large Language Models Shichang Zhang Botao Xia Zimin Zhang Qianli Wu Fang Sun Ziniu Hu Yizhou Sun 43 0 0 13 Jun 2024
SciKnowEval: Evaluating Multi-level Scientific Knowledge of Large Language Models Kehua Feng Keyan Ding Weijie Wang Xiang Zhuang Zeyuan Wang Ming Qin Yu Zhao Jianhua Yao Qiang Zhang H. Chen ELM 45 6 0 13 Jun 2024
Are Large Language Models Good Statisticians? Yizhang Zhu Shiyin Du Boyan Li Yuyu Luo Nan Tang ELM 40 15 0 12 Jun 2024
CS-Bench: A Comprehensive Benchmark for Large Language Models towards Computer Science Mastery Xiaoshuai Song Muxi Diao Guanting Dong Zhengyang Wang Yujia Fu ... Yejie Wang Zhuoma Gongque Jianing Yu Qiuna Tan Weiran Xu ELM 55 11 0 12 Jun 2024
Tx-LLM: A Large Language Model for Therapeutics Juan Manuel Zambrano Chaves Eric Wang Tao Tu E. D. Vaishnav Byron Lee S. S. Mahdavi Christopher Semturs David Fleet Vivek Natarajan Shekoofeh Azizi LM&MA 31 12 0 10 Jun 2024
MolX: Enhancing Large Language Models for Molecular Learning with A Multi-Modal Extension Khiem Le Zhichun Guo Kaiwen Dong Xiaobao Huang B. Nan Roshni G. Iyer Xiangliang Zhang Olaf Wiest Wei Wang Nitesh V. Chawla 41 8 0 10 Jun 2024
What is it for a Machine Learning Model to Have a Capability? Jacqueline Harding Nathaniel Sharadin ELM 40 3 0 14 May 2024
Is Your Code Generated by ChatGPT Really Correct? Rigorous Evaluation of Large Language Models for Code Generation Jiawei Liu Chun Xia Yuyao Wang Lingming Zhang ELM ALM 189 799 0 02 May 2023
Evaluation of GPT-3.5 and GPT-4 for supporting real-world information needs in healthcare delivery Debadutta Dash Rahul Thapa Juan M. Banda Akshay Swaminathan Morgan Cheatham ... Garret K. Morris H. Magon M. Lungren Eric Horvitz N. Shah ELM LM&MA AI4MH 68 51 0 26 Apr 2023
Emergent autonomous scientific research capabilities of large language models Daniil A. Boiko R. MacKnight Gabe Gomes ELM LM&Ro AI4CE LLMAG 104 119 0 11 Apr 2023
Sparks of Artificial General Intelligence: Early experiments with GPT-4 Sébastien Bubeck Varun Chandrasekaran Ronen Eldan J. Gehrke Eric Horvitz ... Scott M. Lundberg Harsha Nori Hamid Palangi Marco Tulio Ribeiro Yi Zhang ELM AI4MH AI4CE ALM 322 3,021 0 22 Mar 2023
Target-aware Abstractive Related Work Generation with Contrastive Learning Xiuying Chen Hind Alamro Li Mingzhe Shen Gao Rui Yan Xin Gao Xiangliang Zhang 3DV 157 27 0 26 May 2022
Chain-of-Thought Prompting Elicits Reasoning in Large Language Models Jason W. Wei Xuezhi Wang Dale Schuurmans Maarten Bosma Brian Ichter F. Xia Ed H. Chi Quoc Le Denny Zhou LM&Ro LRM AI4CE ReLM 395 8,559 0 28 Jan 2022
Multitask Prompted Training Enables Zero-Shot Task Generalization Victor Sanh Albert Webson Colin Raffel Stephen H. Bach Lintang Sutawika ... T. Bers Stella Biderman Leo Gao Thomas Wolf Alexander M. Rush LRM 213 1,661 0 15 Oct 2021
Chemical-Reaction-Aware Molecule Representation Learning Hongwei Wang Weijian Li Xiaomeng Jin Kyunghyun Cho Heng Ji Jiawei Han Martin D. Burke 107 56 0 21 Sep 2021
Few-Shot Graph Learning for Molecular Property Prediction Zhichun Guo Chuxu Zhang W. Yu John E. Herr Olaf Wiest Meng Jiang Nitesh V. Chawla AI4CE 119 170 0 16 Feb 2021
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 219 1,780 0 02 Mar 2017