Data modeling does not excite passion within programmers. Your average Java or Python developer probably doesn’t even realize that they are doing it when they write programs, in great part ...

Data structures and algorithms are vital elements in many computing applications. When programmers design and build applications, they need to model the application data.

Weitzner et al. describe a computational protocol that uses RosettaAntibody to predict antibody structures from sequence data. SnugDock is then used for docking of these structures to protein ...

For more than 100 years, scientists have been using X-ray crystallography to determine the structure of crystalline materials such as metals, rocks, and ceramics.

Artificial intelligence (AI) is reshaping diverse fields in science, with molecular science being no exception. A recent ...

No matter how sophisticated the AI model, its power depends on the quality, structure and context of the data beneath it.

Chemists have developed a generative AI model that can make it much easier to determine the structures of powdered crystal materials. The prediction model could help researchers characterize ...