2 papers
cs.IR2026
RCSB PDB AI Help Desk: retrieval-augmented generation for protein structure deposition support
Vivek Reddy Chithari, Jasmine Y. Young, Irina Persikova +9
Motivation: Structural Biologists have contributed more than 245,000 experimentally determined three-dimensional structures of biological macromolecules to the Protein Data Bank (P…
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…