BioinformaticsbioRxivPreprint
Macro-Equi-Diff (MED): Scaffold-based Macrocycles Generation Using Equivariant Diffusion
Sai Shobit Kambampati, Siri Anumandla, Sai Lahari Guttula…·Vani Kondaparthi
The paper introduces MED, a deep learning framework for generating macrocycles from acyclic molecules, achieving high validity and binding affinity in drug discovery.
DOI 10.64898/2026.02.05.703948