37 citations · 84 across the 4 of their papers we have counts for
4 papers
Roadmap on Data-Centric Materials Science
Stefan Bauer, Peter Benner, Tristan Bereau +58
Science is and always has been based on data, but the terms "data-centric" and the "4th paradigm of" materials research indicate a radical change in how information is retrieved, h…
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
Yaosen Min, Ye Wei, Peizhuo Wang +10
Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity predi…
Machine learning-enabled high-entropy alloy discovery
Ziyuan Rao, PoYen Tung, Ruiwen Xie +14
High-entropy alloys are solid solutions of multiple principal elements, capable of reaching composition and feature regimes inaccessible for dilute materials. Discovering those wit…
Convolutional neural network-assisted recognition of nanoscale L12 ordered structures in face-centred cubic alloys
Yue Li, Xuyang Zhou, Timoteo Colnaghi +6
Nanoscale L12-type ordered structures are widely used in face-centred cubic (FCC) alloys to exploit their hardening capacity and thereby improve mechanical properties. These fine-s…