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 ...

Posts from this topic will be added to your daily email digest and your homepage feed. AlphaFold 3 uses the same method as AI image generators to predict how different molecules fit together.

Structure of Iridium (Ir) dimer complex showing an Ir-Ir bonding molecular orbital populated (left) and an Ir-Ir anti-bonding molecular orbital depopulated (right) by optical excitation. Attractive ...

Researchers at The University of Manchester have created a physics‑informed machine‑learning model that can run molecular simulations for unprecedented lengths of time, even at temperatures as high as ...