3 papers
cs.LG2026
h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network
Yanru Qu, Yijie Zhang, Wenjuan Tan +6
Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions,…
cs.LG2025
Flow Matching Meets Biology and Life Science: A Survey
Zihao Li, Zhichen Zeng, Xiao Lin +9
Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological…
cs.LG2024
Training Free Guided Flow Matching with Optimal Control
Luran Wang, Chaoran Cheng, Yizhen Liao +2
Controlled generation with pre-trained Diffusion and Flow Matching models has vast applications. One strategy for guiding ODE-based generative models is through optimizing a target…