A review of large language models and autonomous agents in chemistry
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly
impacting molecule design, property prediction, and synthesis optimization. This review …
impacting molecule design, property prediction, and synthesis optimization. This review …
Discrete flow matching
Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences
Language models for biological and chemical sequences enable crucial applications such
as drug discovery, protein engineering, and precision medicine. Currently, these language …
as drug discovery, protein engineering, and precision medicine. Currently, these language …
Crystalline material discovery in the era of artificial intelligence
Crystalline materials, with their symmetrical and periodic structures, possess a diverse array
of properties and have been widely used in various fields, ranging from electronic devices to …
of properties and have been widely used in various fields, ranging from electronic devices to …