Publications

Explore the latest journal articles and research outputs from the AIchemy Hub

Language-Based Bayesian Optimization Research Assistant (BORA)

Faraday Discussions RSC

A Large Language Multimodal Model for Metal-Organic Frameworks

arXiv – archive

Automated Determination of the Molecular Substructure from Nuclear Magnetic Resonance Spectra Using Neural Networks

Journal of Chemical Information and Modeling

Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry

Chemical Society Reviews

Predictive crystallography at scale: mapping, validating, and learning from 1000 crystal energy landscapes

Faraday Discussions RSC

Exploration of crystal chemical space using text-guided generative artificial intelligence

Nature Communications