Nature

COPEX: co-evolutionary crystal structure prediction algorithm for complex systems

Crystal structure prediction has been widely used to accelerate the discovery of new materials in recent years. Up to this day, it remains a challenge to predict the stable stoichiometries and ...
Nature

Cyclic peptide structure prediction and design using AlphaFold2

Small cyclic peptides have gained significant traction as a therapeutic modality; however, the development of deep learning methods for accurately designing such peptides has been slow, mostly due to ...
insider.si.edu

Crystal symmetry; an introduction to modern knowledge of inorganic crystal structures, illustrated by exhibits in cases E 1-5 in the mineral gallery of the British Museum ...

Written by F.A. Bannister. cf. Pref. Plans on p. [2] and [3] of cover. siris_sil_231585 ...
Phys.org

Crystallography-informed AI achieves high performance in predicting novel crystal structures

A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...
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 ...