In this proposal, we request storage on Mimer to support ongoing and expanded research projects in the AI Laboratory for Molecular Engineering, headed by Dr. Rocío Mercado Oropeza in the Department of Computer Science and Engineering at Chalmers. The work is carried out by a diverse and growing research team consisting of 10 long-term members and 6 temporary workers at any given time, including: five PhD students, one industry PhD student, three postdoctoral researchers, one industry postdoc, and six MSc students engaged in research projects each term. Our team focuses on AI-driven molecular engineering, combining machine learning, molecular dynamics simulations, omics data analysis, and biochemical modeling. Current and planned projects involve representation learning for chemical and biological data, large-scale generative modeling, and the development of predictive tools for small molecule design and protein-ligand interactions. Specific goals include: (1) developing multi-modal neural networks for image-based single-cell analysis; (2) training generative models for molecular design and optimization; (3) conducting molecular dynamics simulations to build surrogate models of molecular properties; and (4) training transformer-based models for constrained molecular generation, retrosynthesis, and metabolite prediction. All code, models, and datasets are and will continue to be released open-source, and research outputs are expected to result in multiple publications in top computer science and bioinformatics venues. This Large Storage application is a complement to the Medium Compute application titled "AI for Molecular Engineering" (NAISS 2024/5-630) and an extension of our current Medium Storage allocation (NAISS 2024/6-382).