molecular generation
- Energy Loss Functions for Physical Systems
- Graph Diffusion that can Insert and Delete
- Greed is Good: A Unifying Perspective on Guided Generation
- KLASS: KL-Guided Fast Inference in Masked Diffusion Models
- KnowMol: Advancing Molecular Large Language Models with Multi-Level Chemical Knowledge
- Prior-Guided Flow Matching for Target-Aware Molecule Design with Learnable Atom Number
- Straight-Line Diffusion Model for Efficient 3D Molecular Generation