Toward accelerating rare-earth metal extraction using equivariant neural networks

作者：Ankur K. Gupta, C. Hetherington, Wibe A. de Jong · 发表于：Digital Discovery · 年份：2025 · DOI：10.1039/d5dd00286a · 被引用次数：3 · 研究领域：Machine Learning in Materials Science、Extraction and Separation Processes、Computational Drug Discovery Methods

A high-throughput workflow leveraging equivariant GNNs and a diverse dataset of rare-earth complexes to predict binding affinities and accelerate critical metal separation.