2 papers
cs.LG2025
MolPIF: A Parameter Interpolation Flow Model for Molecule Generation
Yaowei Jin, Junjie Wang, Yufan Tang +11
Motivation: Structure-based drug design (SBDD) has advanced with deep generative models, but bridging the gap between continuous atomic coordinates and discrete atom types remains…
q-bio.BM2025
Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule
Keyue Qiu, Yuxuan Song, Zhehuan Fan +5
Structure-Based Drug Design (SBDD) is crucial for identifying bioactive molecules. Recent deep generative models are faced with challenges in geometric structure modeling. A major…