Sesame introduces spatial density-map conditioning and a pairformer module in a diffusion framework to enable de novo and scaffold-conditioned molecular generation for drug design.
Diffdec: Structure-aware scaffold decoration with an end-to-end diffusion model.Journal of Chemical Information and Modeling, 64(7):2554–2564, 2024
2 Pith papers cite this work. Polarity classification is still indexing.
2
Pith papers citing it
fields
cs.LG 2years
2026 2verdicts
UNVERDICTED 2representative citing papers
Morph is a flexible-size 3D molecular generative model using unbalanced optimal transport on geometric graphs that matches fixed-size SOTA performance while enabling out-of-distribution generation.
citing papers explorer
-
Sesame: Structure-Aware Molecular Generation via Spatial Density-Map Conditioning
Sesame introduces spatial density-map conditioning and a pairformer module in a diffusion framework to enable de novo and scaffold-conditioned molecular generation for drug design.
-
Generative Molecular Morphing for Flexible-Size Design via Unbalanced Optimal Transport
Morph is a flexible-size 3D molecular generative model using unbalanced optimal transport on geometric graphs that matches fixed-size SOTA performance while enabling out-of-distribution generation.