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cs.LG2025★ 1 cited
Assay2Mol: large language model-based drug design using BioAssay context
Yifan Deng, Spencer S. Ericksen, Anthony Gitter
Scientific databases aggregate vast amounts of quantitative data alongside descriptive text. In biochemistry, molecule screening assays evaluate candidate molecules' functional res…
cs.LG2024
Chemical Language Model Linker: blending text and molecules with modular adapters
Yifan Deng, Spencer S. Ericksen, Anthony Gitter
The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift…