1 citations · 1 across the 6 of their papers we have counts for
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Blending experimental electron density information to protein-ligand interaction
Seonghyun Park, Shuan Chen, Jun Jin Choong +6
Machine learning models for protein-ligand interactions commonly rely on atomic coordinates, which are constructed by fitting molecular models to experimental electron-density maps…
Riemannian MeanFlow
Dongyeop Woo, Marta Skreta, Seonghyun Park +2
Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA seq…
Learning Collective Variables from BioEmu with Time-Lagged Generation
Seonghyun Park, Kiyoung Seong, Soojung Yang +2
Molecular dynamics is crucial for understanding molecular systems but its applicability is often limited by the vast timescales of rare events like protein folding. Enhanced sampli…
Transition Path Sampling with Improved Off-Policy Training of Diffusion Path Samplers
Kiyoung Seong, Seonghyun Park, Seonghwan Kim +2
Understanding transition pathways between two meta-stable states of a molecular system is crucial to advance drug discovery and material design. However, unbiased molecular dynamic…
Non-backtracking Graph Neural Networks
Seonghyun Park, Narae Ryu, Gahee Kim +3
The celebrated message-passing updates for graph neural networks allow representing large-scale graphs with local and computationally tractable updates. However, the updates suffer…