Materials
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry Marvin Alberts
Spectroscopic techniques are essential tools for determining the structure of molecules.
Principled Bayesian Optimisation in Collaboration with Human Experts
We consider a setup where experts provide advice on the next query point through binary accept/reject recommendations (labels).
China tightens export controls on rare-earth metals: Why this matters
What is the Insurrection Act? Is Trump trying to dial back tensions with Brazil? Why was Letitia James indicted? Will a government shutdown hurt the economy? China tightened export controls for critical rare-earth metals on Thursday.
Hybrid Generative AI for De Novo Design of Co-Crystals with Enhanced Tabletability
Furthermore, we explore the potential of language models in generating co-crystals. Finally, we present numerous previously unknown co-crystals predicted by GEM-CODE and discuss its potential in accelerating drug development.
Infusing Synthetic Data with Real-World Patterns for Zero-Shot Material State Segmentation
Minerals in rocks, sediment in soil, dust on surfaces, infection on leaves, stains on fabrics, and foam in liquids are some of these almost infinite numbers of states and patterns.