10 citations · 23 across the 7 of their papers we have counts for
3 papers · 1 filter
Towards Foundation Models for Materials Science: The Open MatSci ML Toolkit
Kin Long Kelvin Lee, Carmelo Gonzales, Matthew Spellings +3
Artificial intelligence and machine learning have shown great promise in their ability to accelerate novel materials discovery. As researchers and domain scientists seek to unify a…
MatSciML: A Broad, Multi-Task Benchmark for Solid-State Materials Modeling
Kin Long Kelvin Lee, Carmelo Gonzales, Marcel Nassar +3
We propose MatSci ML, a novel benchmark for modeling MATerials SCIence using Machine Learning (MatSci ML) methods focused on solid-state materials with periodic crystal structures.…
Using Multiple Vector Channels Improves E(n)-Equivariant Graph Neural Networks
Daniel Levy, Sékou-Oumar Kaba, Carmelo Gonzales +2
We present a natural extension to E(n)-equivariant graph neural networks that uses multiple equivariant vectors per node. We formulate the extension and show that it improves perfo…