Leveraging biomolecule and natural language through multi-modal learning: A survey

Q Pei, L Wu, K Gao, J Zhu, Y Wang, Z Wang… - arxiv preprint arxiv …, 2024 - arxiv.org
The integration of biomolecular modeling with natural language (BL) has emerged as a
promising interdisciplinary area at the intersection of artificial intelligence, chemistry and …

Materials science in the era of large language models: a perspective

G Lei, R Docherty, SJ Cooper - Digital Discovery, 2024 - pubs.rsc.org
Large Language Models (LLMs) have garnered considerable interest due to their
impressive natural language capabilities, which in conjunction with various emergent …

GenePT: a simple but effective foundation model for genes and cells built from ChatGPT

Y Chen, J Zou - bioRxiv, 2024 - pmc.ncbi.nlm.nih.gov
There has been significant recent progress in leveraging large-scale gene expression data
to develop foundation models for single-cell biology. Models such as Geneformer and …

Image and data mining in reticular chemistry powered by GPT-4V

Z Zheng, Z He, O Khattab, N Rampal, MA Zaharia… - Digital discovery, 2024 - pubs.rsc.org
The integration of artificial intelligence into scientific research opens new avenues with the
advent of GPT-4V, a large language model equipped with vision capabilities. In this study …

Llm and simulation as bilevel optimizers: A new paradigm to advance physical scientific discovery

P Ma, TH Wang, M Guo, Z Sun, JB Tenenbaum… - arxiv preprint arxiv …, 2024 - arxiv.org
Large Language Models have recently gained significant attention in scientific discovery for
their extensive knowledge and advanced reasoning capabilities. However, they encounter …

Quantum many-body physics calculations with large language models

H Pan, N Mudur, W Taranto, M Tikhanovskaya… - Communications …, 2025 - nature.com
Large language models (LLMs) have demonstrated abilities to perform complex tasks in
multiple domains, including mathematical and scientific reasoning. We demonstrate that with …

Llmatdesign: Autonomous materials discovery with large language models

S Jia, C Zhang, V Fung - arxiv preprint arxiv:2406.13163, 2024 - arxiv.org
Discovering new materials can have significant scientific and technological implications but
remains a challenging problem today due to the enormity of the chemical space. Recent …

Evaluation of GPT and BERT-based models on identifying proteinprotein interactions in biomedical text

H Rehana, NB Çam, M Basmaci, J Zheng, C Jemiyo… - Ar**v, 2023 - pmc.ncbi.nlm.nih.gov
Detecting protein-protein interactions (PPIs) is crucial for understanding genetic
mechanisms, disease pathogenesis, and drug design. However, with the fast-paced growth …

Large language models in drug discovery and development: From disease mechanisms to clinical trials

Y Zheng, HY Koh, M Yang, L Li, LT May… - arxiv preprint arxiv …, 2024 - arxiv.org
The integration of Large Language Models (LLMs) into the drug discovery and development
field marks a significant paradigm shift, offering novel methodologies for understanding …

Generation and human-expert evaluation of interesting research ideas using knowledge graphs and large language models

X Gu, M Krenn - arxiv preprint arxiv:2405.17044, 2024 - pure.mpg.de
Advanced artificial intelligence (AI) systems with access to millions of research papers could
inspire new research ideas that may not be conceived by humans alone. However, how …