Can Large Language Models Empower Molecular Property Prediction?

Can Large Language Models Empower Molecular Property Prediction?

14 July 2023

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Papers citing "Can Large Language Models Empower Molecular Property Prediction?"

8 / 8 papers shown

Title
ChemAU: Harness the Reasoning of LLMs in Chemical Research with Adaptive Uncertainty Estimation Xinyi Liu Lipeng Ma Yixuan Li Weidong Yang Qingyuan Zhou Jiayi Song Shuhao Li Ben Fei LRM 53 0 0 01 Jun 2025
ChemPile: A 250GB Diverse and Curated Dataset for Chemical Foundation Models Adrian Mirza Nawaf Alampara Martiño Ríos-García Mohamed Abdelalim Jack Butler ... Mark Worrall Adamo Young Philippe Schwaller Michael Pieler Kevin Maik Jablonka 145 0 0 18 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 160 1 0 05 May 2025
DP-GPL: Differentially Private Graph Prompt Learning Jing Xu Franziska Boenisch Iyiola Emmanuel Olatunji Adam Dziedzic AAML 111 0 0 13 Mar 2025
ProG: A Graph Prompt Learning Benchmark Chenyi Zi Haihong Zhao Xiangguo Sun Yiqing Lin Hong Cheng Jia Li 134 13 0 08 Jun 2024
Demystifying Chains, Trees, and Graphs of Thoughts Maciej Besta Florim Memedi Zhenyu Zhang Robert Gerstenberger Guangyuan Piao ... Aleš Kubíček H. Niewiadomski Aidan O'Mahony Onur Mutlu Torsten Hoefler AI4CE LRM 364 33 0 25 Jan 2024
Compressing LLMs: The Truth is Rarely Pure and Never Simple Ajay Jaiswal Zhe Gan Xianzhi Du Bowen Zhang Zhangyang Wang Yinfei Yang MQ 128 50 0 02 Oct 2023
GPT-MolBERTa: GPT Molecular Features Language Model for molecular property prediction Suryanarayanan Balaji Rishikesh Magar Yayati Jadhav and Amir Barati Farimani 143 15 0 20 Sep 2023