Novel generative AI model enables atomic-scale prediction of protein-protein interactions

Proteins are the molecular workhorses of the human body. They perform a vast range of essential functions, from building ...
Nature

TEMImageNet training library and AtomSegNet deep-learning models for high-precision atom segmentation, localization, denoising, and deblurring of atomic-resolution images

Atom segmentation and localization, noise reduction and deblurring of atomic-resolution scanning transmission electron microscopy (STEM) images with high precision and robustness is a challenging task ...
Phys.org

Predicting atomic structures proves useful in energy and sustainability

This scale-agnostic property demonstrates the model's ability to bridge scales from nanoscale to microscale, enabling detailed atomic structure generation even at complex features like grain ...
Nature

Unprecedented robustness of physics-informed atomic energy models at and beyond room temperature

Machine-learned potentials (MLPs) have become widely adopted alternatives to traditional electronic structure and molecular mechanics methods. However, despite excelling on fixed test sets, most MLPs ...