Mercado, Rocío

3 publications

TMLR 2026 deCIFer: Crystal Structure Prediction from Powder Diffraction Data Using Autoregressive Language Models Frederik Lizak Johansen, Ulrik Friis-Jensen, Erik B Dam, Kirsten M. Ø. Jensen, Rocío Mercado, Raghavendra Selvan

ICLR 2022 Amortized Tree Generation for Bottom-up Synthesis Planning and Synthesizable Molecular Design Wenhao Gao, Rocío Mercado, Connor W. Coley

NeurIPSW 2022 De Novo PROTAC Design Using Graph-Based Deep Generative Models Divya Nori, Connor W. Coley, Rocío Mercado