research
∙
11/30/2022
DEL-Dock: Molecular Docking-Enabled Modeling of DNA-Encoded Libraries
DNA-Encoded Library (DEL) technology has enabled significant advances in...
share
research
∙
06/08/2020
Optimal Transport Graph Neural Networks
Current graph neural network (GNN) architectures naively average or sum ...
research
∙
10/21/2019
Learning to Make Generalizable and Diverse Predictions for Retrosynthesis
We propose a new model for making generalizable and diverse retrosynthet...
research
∙
05/29/2019
