160 citations · 253 across the 23 of their papers we have counts for
3 papers · 1 filter
SVD-NO: Learning PDE Solution Operators with SVD Integral Kernels
Noam Koren, Ralf J. J. Mackenbach, Ruud J. G. van Sloun +2
Neural operators have emerged as a promising paradigm for learning solution operators of partial differential equa- tions (PDEs) directly from data. Existing methods, such as those…
Docking-Aware Attention: Dynamic Protein Representations through Molecular Context Integration
Amitay Sicherman, Kira Radinsky
Computational prediction of enzymatic reactions represents a crucial challenge in sustainable chemical synthesis across various scientific domains, ranging from drug discovery to m…
ReactEmbed: A Plug-and-Play Module for Unifying Protein-Molecule Representations Guided by Biochemical Reaction Networks
Amitay Sicherman, Kira Radinsky
State-of-the-art models represent proteins and molecules in separate embedding manifolds, limiting the modeling of systemic biological processes. We introduce ReactEmbed, a lightwe…