Other venture-backed companies like Chai Discovery and Isomorphic Labs have raced to build better models. SandboxAQ is ...

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. Classical machine learning approaches to molecular dynamics (MD) encode ...

Blake has over a decade of experience writing for the web, with a focus on mobile phones, where he covered the smartphone boom of the 2010s and the broader tech scene. When he's not in front of a ...

You can interact with the 3D models and adjust variables in real time. You can interact with the 3D models and adjust variables in real time. is a news writer who covers the streaming wars, consumer ...

Researchers used 1,024 GPUs to run one of the world's largest quantum chemistry circuit simulations, surpassing the 40-qubit limit for state-vector methods. (Nanowerk News) A research team from the ...

Researchers at the Center for Computational Sciences, University of Tsukuba, have developed an accessible platform to overcome the limitations of conventional static docking simulations, offering new ...

Scientists have discovered that a rare “mirror-image” version of the amino acid cysteine can dramatically slow the growth of certain cancers while leaving healthy cells largely untouched. Unlike most ...

Last week, IBM trumpeted its contributions to a rather unusual paper: the production of a molecule with a half-Möbius topology, assisted by an algorithm run in part on a quantum computer. There was, ...

(Nanowerk News) By simulating the life cycle of a minimal bacterial cell — from DNA replication to protein translation to metabolism and cell division — scientists have opened a new frontier of ...

A new molecule takes an unexpected turn. Scientists created half-Möbius molecules, similar to the Möbius strips common in math classes, but half as twisty. It’s a type of topology, or geometrical ...

Chemists have discovered a new molecular shape, and it is twice as odd as the twisty Möbius strip. The Möbius strip is a looped band with a twist, such that something tiny, such as an ant, would have ...