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: Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition (CVPR)
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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.