Pfizer Research & Development; Pfizer Research & Development, University Pompeu Fabra; Freie Universitát Berlin, Microsoft Research; Pfizer Research & Development, Freie Universitát Berlin
Tuan Le, Julian Cremer, Frank Noe, Djork-Arné Clevert, Kristof T. Schütt
Generative Modelling;Molecule Design;Denoising Diffusion Probabilistic Models;Ablation Study;Equivariant Graph Neural Network;3D Molecule Generation;Diffusion Model
Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation