Chemistry-informed deep learning (1D Deformable-DETR) for automated ¹H NMR multiplet detection: δ, coupling J, proton count and line width in one forward pass.
deep-learning chemistry cheminformatics pytorch transformer scientific-computing nmr object-detection spectroscopy nmr-spectroscopy deformable-detr multiplet-detection
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Updated
Jul 21, 2026 - Python