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

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 ...

Most projects benefit from having a data model. Read this article for an overview of the most common types.

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.

I co-created Graph Neural Networks while at Stanford. I recognized early on that this technology was incredibly powerful. Every data point, every observation, every piece of knowledge doesn’t exist in ...

New deep-learning model outperforms Google AI system in predicting peptide structures Date: June 30, 2024 Source: University of Toronto Summary: Researchers have developed a deep-learning model ...

When designing an effective enterprise data strategy, organizations often choose between a top-down and a bottom-up approach. Each method has its unique advantages and is suitable for various ...

NASA has launched Surya, its new heliophysics artificial intelligence foundation model to empower solar scientists with tools ...

Biologists have developed a computer modeling technique that lets them use cryo-electron microscopy to identify multiple possible structures that a protein can take.

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