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 ...
Simulating how atoms and molecules move over time is a central challenge in computational chemistry and materials science.
The most demanding calculations in quantum chemistry can now be solved with graphics processing unit (GPU) supercomputers. A ...
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.
Boltz-2 is an open-source biomolecular model achieving near-FEP accuracy with 1000x faster predictions for structure and binding affinity. MIT and Recursion have released Boltz-2, the first ...
Members of the Nobel Committee for Chemistry hold a model of a metal-organic framework during the 2025 prize announcement in Stockholm on October 8. Jonathan Nackstrand / AFP via Getty Images Three ...
On 25 April 1953, Watson and Crick published an article, in the acclaimed journal “Nature” titled “Molecular structure of nucleic acids: A structure for deoxyribonucleic acid”. The one-page article ...
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