MIPS represents polymers as infinite monomer sequences via star-linked graphs, adds backbone and 3D signals, and achieves state-of-the-art results on eight polymer property prediction tasks.
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MIPS: a Multimodal Infinite Polymer Sequence Pre-training Framework for Polymer Property Prediction
MIPS represents polymers as infinite monomer sequences via star-linked graphs, adds backbone and 3D signals, and achieves state-of-the-art results on eight polymer property prediction tasks.