3 papers
cs.LG2025
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.LG2025
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…
q-bio.QM2025
Exploring zero-shot structure-based protein fitness prediction
Arnav Sharma, Anthony Gitter
The ability to make zero-shot predictions about the fitness consequences of protein sequence changes with pre-trained machine learning models enables many practical applications. S…