Researchers have confirmed the original model of the molecular structure of water and have thus made it possible to resolve a long-standing scientific controversy about the structure of liquid water.

AlphaFold 3 has a library of molecular structures. Researchers input a list of molecules they want to combine, then AlphaFold 3 uses a diffusion method to generate a 3D model of the new structure.

Neo-1 is the first model to unify de novo molecular generation and atomic-level structure prediction in a single model, by generating latent representations of whole molecules instead of ...