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Machine learning (ML) is revolutionizing protein structural analysis, including an important subproblem of predicting protein residue contact maps, i.e., which ami-no-acid residues are in close spatial proximity given the amino-acid sequence of a protein. Despite recent progresses in ML-based protein contact prediction, predict-ing contacts with a wide range of distances (commonly classified into short-, me-dium- and long-range contacts) remains a challenge. Here, we propose a multiscale graph neural network (GNN) based approach taking a cue from multiscale physics simulations, in which a standard pipeline involving a recurrent neural network (RNN) is augmented with three GNNs to refine predictive capability for short-, medium- and long-range residue contacts, respectively. Test results on the Pro-teinNet dataset show improved accuracy for contacts of all ranges using the pro-posed multiscale RNN+GNN approach over the conventional approach, including the most challenging case of long-range contact prediction.more » « less
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Free, publicly-accessible full text available July 1, 2025
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Free, publicly-accessible full text available September 1, 2024
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Abstract The super
τ -charm facility (STCF) is an electron–positron collider proposed by the Chinese particle physics community. It is designed to operate in a center-of-mass energy range from 2 to 7 GeV with a peak luminosity of 0.5 × 1035cm−2·s−1or higher. The STCF will produce a data sample about a factor of 100 larger than that of the presentτ -charm factory — the BEPCII, providing a unique platform for exploring the asymmetry of matter-antimatter (charge-parity violation), in-depth studies of the internal structure of hadrons and the nature of non-perturbative strong interactions, as well as searching for exotic hadrons and physics beyond the Standard Model. The STCF project in China is under development with an extensive R&D program. This document presents the physics opportunities at the STCF, describes conceptual designs of the STCF detector system, and discusses future plans for detector R&D and physics case studies.Free, publicly-accessible full text available February 1, 2025