Researchers at Rice University and Oak Ridge National Laboratory have unveiled a physics-based model of magnetic resonance relaxation that bridges molecular-scale dynamics with macroscopic magnetic ...

Google DeepMind has unexpectedly released the source code and model weights of AlphaFold 3 for academic use, marking a significant advance that could accelerate scientific discovery and drug ...

Researchers from BIFOLD and Google DeepMind have created MD-ET, a transformer-based molecular dynamics model that achieves state-of-the-art results without embedding physical laws like energy ...

Researchers from BIFOLD and Google DeepMind have developed MD-ET, a transformer-based molecular dynamics model that achieves state-of-the-art results without encoding traditional physical constraints ...

A new open-source model of brain metabolism, developed by scientists at École Polytechnique Fédérale de Lausanne (EPFL), has shown how altering key chemicals could restore aged cells to their youthful ...

Determining correlations between molecules at various levels is an important topic in molecular biology. Large language models have demonstrated a remarkable ability to capture correlations from large ...

The study, published in Communications Chemistry, explores the first AI‑powered model that can keep molecular simulations running safely and smoothly, even when molecules are pushed to extreme ...