Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry

Abstract Graph deep learning models, which incorporate a natural inductive bias for atomic structures, are of immense interest in materials science and chemistry. Here, we introduce the Materials Graph Library (MatGL), an open-source graph deep learning library for materials science and chemistry. B...

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Bibliographic Details

Published in:	npj Computational Materials
Main Authors:	Tsz Wai Ko, Bowen Deng, Marcel Nassar, Luis Barroso-Luque, Runze Liu, Ji Qi, Atul C. Thakur, Adesh Rohan Mishra, Elliott Liu, Gerbrand Ceder, Santiago Miret, Shyue Ping Ong
Format:	Article
Language:	English
Published:	Nature Portfolio 2025-08-01
Online Access:	https://doi.org/10.1038/s41524-025-01742-y