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Can GNNs scale? This question has divided the community for years. For the first time, we observe that GNNs benefit tremendously from the increasing width, number of molecules, number of labels, and diversity in the pretraining datasets. With these findings, we introduce MolGPS - a 1B parameter model for molecular property prediction. Read the blog here: https://lnkd.in/gXymSrv9 Learn more about MolGPS at the DMLR Workshop at ICLR 2024 on Saturday, May 11th with Valence Labs scientists Maciej Sypetkowski, Frederik Wenkel, and Dominique Beaini. For more details, read the full paper “On the Scalability of GNNs for Molecular Graphs": https://lnkd.in/gFQ-C8-t

Introducing MolGPS - A Foundational GNN for Molecular Property Prediction

Introducing MolGPS - A Foundational GNN for Molecular Property Prediction

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