289 citations · 315 across the 2 of their papers we have counts for
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cs.LG2026
TurboPairFormer: Fast and Stable Protein Folding Model Training with an Optimized Triangle Attention Kernel
Yide Ran, Chelsea Lowman, Jan Domański +6
Triangular attention is a core computation in AlphaFold3-style biomolecular models, with cubic cost in token count. Its shared pair bias adds a gradient reduction across attention…
cs.LG2023★ 26 cited
EspalomaCharge: Machine learning-enabled ultra-fast partial charge assignment
Yuanqing Wang, Iván Pulido, Kenichiro Takaba +4
Atomic partial charges are crucial parameters in molecular dynamics (MD) simulation, dictating the electrostatic contributions to intermolecular energies, and thereby the potential…