Machine learning workflow enables faster, more reliable organic crystal structure prediction

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

Scientists use math to predict crystal structure in hours instead of months

Researchers have devised a mathematical approach to predict the structures of crystals -- a critical step in developing many medicines and electronic devices -- in a matter of hours using only a ...
EurekAlert!

Faster and more reliable crystal structure prediction of organic molecules

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