For the immune system to effectively combat pathogens, antibody responses must be precisely controlled. So-called follicular ...

For decades, scientists suspected water secretly behaves like two different liquids. A new AI-powered study has finally ...

A collaborative effort between Meta, Lawrence Berkeley National Laboratory and Los Alamos National Laboratory leverages Los Alamos' expertise in building tools for molecular screening capabilities.

Deep learning-based molecular generation has extensive applications in many fields, particularly drug discovery. However, the majority of current deep generative models are ligand-based and do not ...

Molecular machine learning models often fail to generalize beyond the chemical space of their training data, limiting their ability to reliably perform predictions on structurally novel bioactive ...