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Assessment of chemistry knowledge in large language models that generate code

Andrew D. White, Glen M. Hocky, Heta A. Gandhi, Mehrad Ansari, Sam Cox, Geemi P. Wellawatte, Subarna Sasmal, Ziyue Yang, Kangxin Liu, Yuvraj Singh, Willmor J. Peña Ccoa

Version 2 posted 12 December 2022

3,488

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1

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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

63

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Biological and Medicinal Chemistry

Working Paper

ChemBERTa-2: Fine-Tuning for Molecule’s HIV Replication Inhibition Prediction

Sylwia Nowakowska

Version 1 posted 15 September 2023

413

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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

749

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Theoretical and Computational Chemistry

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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

308

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Materials Chemistry

Working Paper

Large Language Models for Inorganic Synthesis Predictions

Seongmin Kim, Yousung Jung, Joshua Schrier

Version 2 posted 29 April 2024

512

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Analytical Chemistry

Working Paper

Emergence of molecular structures from repository-scale self-supervised learning on tandem mass spectra

Roman Bushuiev, Anton Bushuiev, Raman Samusevich, Corinna Brungs, Josef Sivic, Tomáš Pluskal

Version 2 posted 23 April 2024

707

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Materials Science

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Molecular analysis and design using multimodal generative artificial intelligence via multi-agent modeling

Isabella Stewart, Markus Buehler

Version 1 posted 16 April 2024

220

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Organic Chemistry

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Accelerated end-to-end chemical synthesis development with large language models

Yixiang Ruan, Chenyin Lu, Ning Xu, Jian Zhang, Jun Xuan, Jianzhang Pan, Qun Fang, Hanyu Gao, Xiaodong Shen, Ning Ye, Qiang Zhang, Yiming Mo

Version 1 posted 08 May 2024

162

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9 results in Large language models in Keywords: Large language models

Assessment of chemistry knowledge in large language models that generate code

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

ChemBERTa-2: Fine-Tuning for Molecule’s HIV Replication Inhibition Prediction

Can Large Language Models Predict Antimicrobial Peptide Activity and Toxicity?

Spider Matrix: Towards Research Paper Evaluation and Innovation for Everyone

Large Language Models for Inorganic Synthesis Predictions

Emergence of molecular structures from repository-scale self-supervised learning on tandem mass spectra

Molecular analysis and design using multimodal generative artificial intelligence via multi-agent modeling

Accelerated end-to-end chemical synthesis development with large language models

9 results in Keywords: Large language models