BioinformaticsbioRxivPreprint
SOFT METROPOLIS-HASTINGS CORRECTION FOR GENERATIVE MODEL SAMPLING
Hanqi Feng, Peng Qiu, Meng-Chun Zhang…·Barnabas Poczos
The paper introduces a soft Metropolis-Hastings correction for molecular diffusion models to improve chemical validity and structural stability in molecule generation.
DOI 10.1101/2025.09.24.678433