Understanding the properties of different materials is an important step in material design. X-ray absorption spectroscopy ...

Managing real-time data is crucial for technologies that help computers learn and make decisions, a field known as machine learning. In simple terms, machine learning teaches computers to find ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...

Machine learning (ML) is transforming protein structure prediction. Algorithms can predict 3D structures from amino acid ...

Electron density prediction for a four-million-atom aluminum system using machine learning, deemed to be infeasible using traditional DFT method. × Researchers from Michigan Tech and the University of ...

In recent years, JupyterLab has rapidly become the tool of choice for data scientists, machine learning (ML) practitioners, and analysts worldwide. This powerful, web-based integrated development ...

The data science and machine learning technology space is undergoing rapid changes, fueled primarily by the wave of generative AI and—just in the last year—agentic AI systems and the large language ...

Learn best practices for structuring machine learning projects to ensure smooth deployment and maintainable code. This guide ...