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Chemistry

Working Paper

Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)

Shi Xuan Leong, Sergio Pablo-García, Zijian Zhang, Alán Aspuru-Guzik

Version 1 posted 11 July 2024

946

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2

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Chemistry

Working Paper

Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models

Jieyu Lu, Zhangde Song, Qiyuan Zhao, Yuanqi Du, Yirui Cao, Haojun Jia, Chenru Duan

Version 1 posted 24 October 2024

116

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Chemistry

Working Paper

AI Agents in Chemical Research: An Intelligent Research Assistant System

Kangyong Ma

Version 2 posted 20 December 2024

484

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Chemistry

Working Paper

Large Language Models are Catalyzing Chemistry Education

Yuanqi Du, Chenru Duan, Andres Bran, Anna Sotnikova, Yi Qu, Heather Kulik, Antoine Bosselut, Jinjia Xu, Philippe Schwaller

Version 1 posted 25 June 2024

751

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1

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Computer Science

Presentation

Keynote presentation - Conversations with robots and AIs - Can foundation models support human wellbeing?

Oliver Lemon

Version 1 posted 04 December 2023

38

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Chemistry

Working Paper

Large Language Models as Molecular Design Engines

Debjyoti Bhattacharya, Harrison Cassady, Michael Hickner, Wesley Reinhart

Version 3 posted 29 August 2024

1,282

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Chemistry

Working Paper

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

Isabella Stewart, Markus Buehler

Version 1 posted 16 April 2024

514

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Chemistry

Working Paper

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

Sylwia Nowakowska

Version 1 posted 15 September 2023

696

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Computer Science

Poster

Large Language Models for Slot Filling with Limited Data

Guangzhi Sun

Version 1 posted 07 November 2023

111

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Chemistry

Working Paper

Developing Large Language Models for Quantum Chemistry Simulation Input Generation

Pieter Floris Jacobs, Robert Pollice

Version 1 posted 02 September 2024

319

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Refine Search

28 results in large language models in Keywords: large language models

Automated electrosynthesis reaction mining with multimodal large language models (MLLMs)

Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models

AI Agents in Chemical Research: An Intelligent Research Assistant System

Large Language Models are Catalyzing Chemistry Education

Keynote presentation - Conversations with robots and AIs - Can foundation models support human wellbeing?

Large Language Models as Molecular Design Engines

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

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

Large Language Models for Slot Filling with Limited Data

Developing Large Language Models for Quantum Chemistry Simulation Input Generation

28 results in Keywords: large language models