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 …
From text to insight: large language models for materials science data extraction
M Schilling-Wilhelmi, M Ríos-García, S Shabih… - ar** an exhaustive knowledge base that enables accelerated materials discovery …
Matsciml: A broad, multi-task benchmark for solid-state materials modeling
We propose MatSci ML, a novel benchmark for modeling MATerials SCIence using Machine
Learning (MatSci ML) methods focused on solid-state materials with periodic crystal …
Learning (MatSci ML) methods focused on solid-state materials with periodic crystal …
Quokka: An open-source large language model chatbot for material science
This paper presents the development of a specialized chatbot for materials science,
leveraging the Llama-2 language model, and continuing pre-training on the expansive …
leveraging the Llama-2 language model, and continuing pre-training on the expansive …
Actionie: Action extraction from scientific literature with programming languages
Extraction of experimental procedures from human language in scientific literature and
patents into actionable sequences in robotics language holds immense significance in …
patents into actionable sequences in robotics language holds immense significance in …
Matexpert: Decomposing materials discovery by mimicking human experts
Material discovery is a critical research area with profound implications for various
industries. In this work, we introduce MatExpert, a novel framework that leverages Large …
industries. In this work, we introduce MatExpert, a novel framework that leverages Large …