Diffleop uses affinity-guidance gradients and bond-type diffusion in an equivariant diffusion model, reporting higher predicted binding affinity for generated lead molecules than several prior baselines.
Target-focused library design by pocket-applied computer vision and fragment deep generative linking
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cs.LG 1years
2025 1verdicts
CONDITIONAL 1representative citing papers
citing papers explorer
-
A 3D pocket-aware and affinity-guided diffusion model for lead optimization
Diffleop uses affinity-guidance gradients and bond-type diffusion in an equivariant diffusion model, reporting higher predicted binding affinity for generated lead molecules than several prior baselines.