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.
Journal of Chemical Information and Computer Sciences44(3), 1000–1005 (2004) 7
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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.