EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties.
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| Title: | EvoDiffMol: evolutionary diffusion framework for 3D molecular design with optimized properties. |
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| Authors: | Lin X; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. linx1@ornl.gov., Kearney LT; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. kearneylt@ornl.gov., Su Z; Research, Takeda Pharmaceutical Company Ltd., Cambridge, MA, 02139, USA., Liu Y; Broad Institute of MIT and Harvard, Cambridge, MA, 02142, USA., Naskar AK; Carbon and Composites Group, Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. naskarak@ornl.gov., Bhowmik D; Computational Sciences and Engineering Division, Oak Ridge National Laboratory, Oak Ridge, TN, 37831, USA. bhowmikd@ornl.gov. |
| Source: | Journal of cheminformatics [J Cheminform] 2026 Jul 15; Vol. 18 (1). Date of Electronic Publication: 2026 Jul 15. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: BioMed Central Country of Publication: England NLM ID: 101516718 Publication Model: Electronic Cited Medium: Print ISSN: 1758-2946 (Print) Linking ISSN: 17582946 NLM ISO Abbreviation: J Cheminform Subsets: PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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