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GSF-χ: Global Stereochemical Fields for Chiral Graph Transformers
Jiaqing Xie, Yuxin Wang†, Xipeng Qiu†
arXiv preprint, 2026
arXiv /
Code
TL;DR: Enantiomers share atoms, bonds, and pairwise distances yet behave differently in chiral environments, so molecular encoders must respect rotations without going blind to reflection. GSF-χ lets every stereogenic unit modulate all pairwise attention through a reflection-even phase field, while a handedness pseudoscalar χ reverses a Chiral-RoPE on latent query–key blocks; a C2 projection keeps ECD peak counts and positions mirror-even and peak signs mirror-odd. GSF-χ leads every central-ECD output and improves axial Rotation and Symbol by 12.6% and 7.9% over the strongest baseline.
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