Vision encoders on single 2D molecular images with a chemistry-informed curriculum achieve top or near-top results on 10 property prediction tasks at 80x lower FLOPs than multi-modal competitors.
In: International Conference on Learning Representations (ICLR) (2023) 2, 3, 6, 18, 21
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MolSight: Molecular Property Prediction with Images
Vision encoders on single 2D molecular images with a chemistry-informed curriculum achieve top or near-top results on 10 property prediction tasks at 80x lower FLOPs than multi-modal competitors.