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The adoption of Large Language Models (LLMs) for code generation in data science offers substantial potential for enhancing tasks such as data manipulation, statistical analysis, and visualization. However, the effectiveness of these models…

Small molecules are essential to drug discovery, and graph-language models hold promise for learning molecular properties and functions from text. However, existing molecule-text datasets are limited in scale and informativeness,…

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Vision language models (VLMs) have experienced rapid advancements through the integration of large language models (LLMs) with image-text pairs, yet they struggle with detailed regional visual understanding due to limited spatial awareness…

Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

Large Language Models (LLMs) and Vision Language Models (VLMs) have recently shown promising capabilities in various scientific domain. In particular, these advances have opened new opportunities in drug discovery, where the ability to…

Protein research is crucial in various fundamental disciplines, but understanding their intricate structure-function relationships remains challenging. Recent Large Language Models (LLMs) have made significant strides in comprehending…

Molecular property prediction is a crucial foundation for drug discovery. In recent years, pre-trained deep learning models have been widely applied to this task. Some approaches that incorporate prior biological domain knowledge into the…

This paper presents CaseGPT, an innovative approach that combines Large Language Models (LLMs) and Retrieval-Augmented Generation (RAG) technology to enhance case-based reasoning in the healthcare and legal sectors. The system addresses the…

Large language models (LLMs)such as ChatGPT have significantly advanced the field of Natural Language Processing (NLP). This trend led to the development of code-based large language models such as StarCoder, WizardCoder, and CodeLlama,…

Large language models (LLMs) have significantly advanced various natural language processing (NLP) tasks. Recent research indicates that moderately-sized LLMs often outperform larger ones after task-specific fine-tuning. This study focuses…

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Human expertise in chemistry and biomedicine relies on contextual molecular understanding, a capability that large language models (LLMs) can extend through fine-grained alignment between molecular structures and text. Recent multimodal…

Large Language Models (LLMs) have reshaped the landscape of artificial intelligence by demonstrating exceptional performance across various tasks. However, substantial computational requirements make their deployment challenging on devices…

Large language models(LLMs), with their powerful language generation and reasoning capabilities, have already achieved notable success in many domains, e.g., math and code generation. However, they often fall short when tackling real-life…

Large language models (LLMs) have emerged as powerful tools for knowledge-intensive tasks across domains. In materials science, to find novel materials for various energy efficient devices for various real-world applications, requires…

Large language models (LLMs) have demonstrated remarkable potential in handling multilingual machine translation (MMT). In this paper, we systematically investigate the advantages and challenges of LLMs for MMT by answering two questions:…

Participant recruitment based on unstructured medical texts such as clinical notes and radiology reports has been a challenging yet important task for the cohort establishment in clinical research. Recently, Large Language Models (LLMs)…

Large language models (LLMs) have demonstrated notable proficiency in code generation, with numerous prior studies showing their promising capabilities in various development scenarios. However, these studies mainly provide evaluations in…