@misc{indiciae054873bccf1c, title = {EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties}, author = {Lin, Xiaobo [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000321086168) and Kearney, Logan T. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000308113483) and Su, Zhaoqian [Takeda Pharmaceutical Company Ltd., Cambridge, MA (United States)] and Liu, Yunchao [Broad Institute of MIT and Harvard, Cambridge, MA (United States)] and Naskar, Amit K. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000210940325) and Bhowmik, Debsindhu [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000177709091)}, year = {2026}, doi = {10.1186/s13321-026-01237-y}, url = {https://www.osti.gov/biblio/3395427}, note = {Source identifier: 3395427} }