The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a ...

In recent years, machine learning (ML) algorithms have proved themselves to be remarkably useful in helping people deal with different tasks: data classification and clustering, pattern revealing, ...

If you rotate an image of a molecular structure, a human can tell the rotated image is still the same molecule, but a machine-learning model might think it is a new data point. In computer science ...

Modeled on the human brain, neural networks are one of the most common styles of machine learning. Get started with the basic design and concepts of artificial neural networks. Artificial intelligence ...

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