ChemReasoner: Heuristic Search over a Large Language Model's Knowledge
Space using Quantum-Chemical Feedback

ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback

15 February 2024

Henry W Sprueill

Carl N. Edwards

Khushbu Agarwal

Mariefel V. Olarte

Conrad Johnston

Heng Ji

Sutanay Choudhury

Papers citing "ChemReasoner: Heuristic Search over a Large Language Model's Knowledge Space using Quantum-Chemical Feedback"

9 / 9 papers shown

Title
Towards Scientific Intelligence: A Survey of LLM-based Scientific Agents Shuo Ren Pu Jian Zhenjiang Ren Chunlin Leng Can Xie Jiajun Zhang LLMAG AI4CE 53 0 0 31 Mar 2025
DrugAssist: A Large Language Model for Molecule Optimization Geyan Ye Xibao Cai Houtim Lai Xing Wang Junhong Huang Longyue Wang Wei Liu Xian Zeng 32 20 0 28 Dec 2023
Emergent autonomous scientific research capabilities of large language models Daniil A. Boiko R. MacKnight Gabe Gomes ELM LM&Ro AI4CE LLMAG 101 115 0 11 Apr 2023
Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language Philipp Seidl Andreu Vall Sepp Hochreiter G. Klambauer 53 35 0 06 Mar 2023
A Molecular Multimodal Foundation Model Associating Molecule Graphs with Natural Language Bing-Huang Su Dazhao Du Zhao-Qing Yang Yujie Zhou Jiangmeng Li Anyi Rao Haoran Sun Zhiwu Lu Ji-Rong Wen 38 107 0 12 Sep 2022
Training language models to follow instructions with human feedback Long Ouyang Jeff Wu Xu Jiang Diogo Almeida Carroll L. Wainwright ... Amanda Askell Peter Welinder Paul Christiano Jan Leike Ryan J. Lowe OSLM ALM 301 11,730 0 04 Mar 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 315 8,261 0 28 Jan 2022
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks P. Schwaller Daniel Probst Alain C. Vaucher Vishnu H. Nair D. Kreutter Teodoro Laino J. Reymond 122 220 0 09 Dec 2020
The Open Catalyst 2020 (OC20) Dataset and Community Challenges L. Chanussot Abhishek Das Siddharth Goyal Thibaut Lavril Muhammed Shuaibi ... Brandon M. Wood Junwoong Yoon Devi Parikh C. L. Zitnick Zachary W. Ulissi 202 370 0 20 Oct 2020