82 citations · 83 across the 3 of their papers we have counts for
3 papers
New York Smells: A Large Multimodal Dataset for Olfaction
Ege Ozguroglu, Junbang Liang, Ruoshi Liu +6
While olfaction is central to how animals perceive the world, this rich chemical sensory modality remains largely inaccessible to machines. One key bottleneck is the lack of divers…
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…
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction
Jiaqi Guan, Wesley Wei Qian, Xingang Peng +3
Rich data and powerful machine learning models allow us to design drugs for a specific protein target \textit{in silico}. Recently, the inclusion of 3D structures during targeted d…