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About this paper
Jiacheng Cen, Anyi Li, Ning Lin, Zihe Wang, Ji-Rong Wen, Wenbing Huang
SymFP uses singular-value spectra of equivariant representations to fingerprint structures independent of orientation and score leakage beyond target point-group rank limits. In four matched-amplitude deformations of a C₆ ring, spectral onset degrees differed while self-match RMSD curves largely overlapped in pairs. Torsion-scan retrieval had mean AUC 0.794 but did not lead for minima; this supports screening, not energy prediction.
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