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Tsz Wai Ko

1 articles · 9 co-authors · latest: 2025-03-05

Scientific Lego: Predicting Material Properties Without a Lab

MatGL is an open-source library for materials researchers. It uses graph neural networks (akin to social media algorithms) to predict properties from atomic structure. It comes with ready-made models, like construction kit parts: pick the one you need and quickly test new materials. The tool acceler
arXiv:2503.03837 · 2025-03-05