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Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately ...

Language models are now also being used in the natural sciences. In chemistry, they are employed, for instance, to predict new biologically active compounds. Chemical language models (CLMs) must be ...

People have always looked for patterns to explain the universe and to predict the future. “Red sky at night, sailor’s delight. Red sky in morning, sailor’s warning” is an adage predicting the weather.