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density functional theory 1dispersion correction 1fast summation 1low-rank decomposition 1particle-mesh methods 1

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q-bio.BM2025

Consistent Synthetic Sequences Unlock Structural Diversity in Fully Atomistic De Novo Protein Design

Danny Reidenbach, Zhonglin Cao, Zuobai Zhang +8

High-quality training datasets are crucial for the development of effective protein design models, but existing synthetic datasets often include unfavorable sequence-structure pair…