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Biological and Medicinal Chemistry

Working Paper

Can Large Language Models Predict Antimicrobial Peptide Activity and Toxicity?

Markus Orsi, Jean-Louis Reymond

Version 2 posted 12 March 2024

929

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Theoretical and Computational Chemistry

Working Paper

Spider Matrix: Towards Research Paper Evaluation and Innovation for Everyone

Yanheng XU, Shuqian Ye, Rulin Liu, Ling Shao, Xi Zhu

Version 4 posted 01 April 2024

602

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Chemical Engineering and Industrial Chemistry

Working Paper

Chat-Microreactor: A Large-Language-Model-Based Assistant for Designing Continuous Flow Systems

Yongqi Pan, Qinfan Xiao, Fangyu Zhao, Zhenhao Li, Jianyang Liu, Shafqat Ullah, Kang Hui Lim, Tianyi Huang, Zhiyuan Yu, Claudia Li, Dingyan Zhang, Qiangqiang Xue, Qiang Chen, Sibudjing Kawi, Yujun Wang, Guangsheng Luo

Version 1 posted 09 December 2024

179

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Theoretical and Computational Chemistry

Working Paper

Developing Large Language Models for Quantum Chemistry Simulation Input Generation

Pieter Floris Jacobs, Robert Pollice

Version 1 posted 02 September 2024

309

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Chemical Education

Working Paper

Diagram-based Input for Large Language Models to Support Accessible STEM Learning

Sarah E. Wegwerth, Alexa Urrea, Julia Winter

Version 1 posted 28 November 2023

95

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Materials Science

Working Paper

Ontology-conformal recognition of materials entities using language models

Rachana Niranjan Murthy, Sai Teja Potu, Akhil Thomas, Lokesh Mishra, Natalie Prange, Ali Riza Durmaz

Version 1 posted 04 September 2024

206

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Materials Chemistry

Working Paper

A multi-agent-driven robotic AI chemist enabling autonomous chemical research on demand

Tao Song, Man Luo, Linjiang Chen, Yan Huang, Qing Zhu, Daobin Liu, Baicheng Zhang, Gang Zou, Fei Zhang, Weiwei Shang, Jun Jiang, Yi Luo

Version 2 posted 30 July 2024

1,081

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Materials Chemistry

Working Paper

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models

Seongmin Kim, Joshua Schrier, Yousung Jung

Version 2 posted 09 December 2024

541

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Theoretical and Computational Chemistry

Working Paper

Large Language Models as Molecular Design Engines

Debjyoti Bhattacharya, Harrison Cassady, Michael Hickner, Wesley Reinhart

Version 3 posted 29 August 2024

1,255

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Theoretical and Computational Chemistry

Working Paper

Large language models design sequence-defined macromolecules via evolutionary optimization

Wesley Reinhart, Antonia Statt

Version 1 posted 04 September 2024

187

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Refine Search

24 results in Large Language Models in Keywords: Large Language Models

Can Large Language Models Predict Antimicrobial Peptide Activity and Toxicity?

Spider Matrix: Towards Research Paper Evaluation and Innovation for Everyone

Chat-Microreactor: A Large-Language-Model-Based Assistant for Designing Continuous Flow Systems

Developing Large Language Models for Quantum Chemistry Simulation Input Generation

Diagram-based Input for Large Language Models to Support Accessible STEM Learning

Ontology-conformal recognition of materials entities using language models

A multi-agent-driven robotic AI chemist enabling autonomous chemical research on demand

Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models

Large Language Models as Molecular Design Engines

Large language models design sequence-defined macromolecules via evolutionary optimization

24 results in Keywords: Large Language Models