3 papers
cs.AI2026
TorchCraft: Unified binder design by inverting an all-atom structure predictor
TorchCraft Team, Yu Liu, Zhouhanyu Shen +8
All-atom structure predictors model diverse molecular interactions, but using their learned structural priors for binder design remains challenging. Here we present TorchCraft, a u…
cs.LG2025
Graph Generation with Spectral Geodesic Flow Matching
Xikun Huang, Tianyu Ruan, Chihao Zhang +1
Graph generation is a fundamental task with wide applications in modeling complex systems. Although existing methods align the spectrum or degree profile of the target graph, they…
cs.AI2024
Link-aware link prediction over temporal graph by pattern recognition
Bingqing Liu, Xikun Huang
A temporal graph can be considered as a stream of links, each of which represents an interaction between two nodes at a certain time. On temporal graphs, link prediction is a commo…