Budgeted Quotient-Residual Guidance for Frozen Pocket-Conditioned Molecular Diffusion
cs.LG
Submitted: 2026-09-25
Updated: 2026-09-25
Comments: 21 pages, 5 figures. Includes theoretical proofs and supplementary experimental results
License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
Terminology
Sources
- Benchmarking structure-based three-dimensional molecular generative models using GenBench3D: ligand conformation quality matters
- Universal Guidance for Diffusion Models
- Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges
- Classifier-Free Diffusion Guidance
- Rao-Blackwell Gradient Estimators for Equivariant Denoising Diffusion
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