82 citations · 225 across the 15 of their papers we have counts for
4 papers · 1 filter
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…
Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
Xiangxin Zhou, Jiaqi Guan, Yijia Zhang +3
Dual-target therapeutic strategies have become a compelling approach and attracted significant attention due to various benefits, such as their potential in overcoming drug resista…
Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets
Xingang Peng, Shitong Luo, Jiaqi Guan +3
Deep generative models have achieved tremendous success in designing novel drug molecules in recent years. A new thread of works have shown the great potential in advancing the spe…
Energy-efficient Amortized Inference with Cascaded Deep Classifiers
Jiaqi Guan, Yang Liu, Qiang Liu +1
Deep neural networks have been remarkable successful in various AI tasks but often cast high computation and energy cost for energy-constrained applications such as mobile sensing.…