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 ...
Nature

Open-source protein structure AI aims to match AlphaFold

The developers of OpenFold3 have released an early version of the tool, which they hope will one day perform on par with DeepMind’s protein-structure model.
eLife

Automated genome mining predicts structural diversity and taxonomic distribution of peptide metallophores across bacteria

This important and compelling study establishes a robust computational and experimental framework for the large-scale identification of metallophore biosynthetic clusters. The work advances beyond ...
Frontiers

Advancing Computational Material Science and Mechanics through Integrated Deep Learning Models

The field of computational materials science has been profoundly transformed by integrating deep learning and other machine learning methodologies. These sophisticated data-driven approaches have ...