Researchers from Google DeepMind, BIFOLD, and TU Berlin have unveiled AI models that simulate molecular behavior without hard-coded physical laws, achieving competitive results through massive ...

Computational chemistry and molecular modeling form the backbone of modern theoretical and applied chemical science. These fields utilise advanced quantum mechanical methods and simulation techniques ...

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 developed MD-ET, a transformer-based molecular dynamics model that omits traditional physics constraints like energy conservation and equivariance.

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 ...

The rapid advancement of spatial and single-cell omics technologies has revolutionized molecular biosciences by enabling high-resolution profiling of gene ...

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 ...

Optibrium, a leading developer of software and AI solutions for molecular design today announced the introduction of a new PyMOL Graphical User Interface (GUI) for Surflex-Dock, its industry-leading ...

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 ...

IIIF provides researchers rich metadata and media viewing options for comparison of works across cultural heritage collections. Visit the IIIF page to learn more. Auguste Lawrence Pouleur (1877-1947), ...