As artificial intelligence (AI) tools shake up the scientific workflow, Sam Rodriques dreams of a more systemic transformation. His start-up company, FutureHouse in San Francisco, California, aims to build an ‘AI scientist’ that can command the entire research pipeline, from hypothesis generation to paper production.

Today, his team took a step in that direction, releasing what it calls the first true ‘reasoning model’ specifically designed for scientific tasks. The model, called ether0, is a large language model (LLM) that’s purpose-built for chemistry, which it learnt simply by taking a test of around 500,000 questions. Following instructions in plain English, ether0 can spit out formulae for drug-like molecules that satisfy a range of criteria.