1.5k citations · 3.4k across the 22 of their papers we have counts for
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cs.LG2022★ 5 cited
Deep Surrogate Docking: Accelerating Automated Drug Discovery with Graph Neural Networks
Ryien Hosseini, Filippo Simini, Austin Clyde +1
The process of screening molecules for desirable properties is a key step in several applications, ranging from drug discovery to material design. During the process of drug discov…
cs.LG2022★ 1 cited
Operation-Level Performance Benchmarking of Graph Neural Networks for Scientific Applications
Ryien Hosseini, Filippo Simini, Venkatram Vishwanath
As Graph Neural Networks (GNNs) increase in popularity for scientific machine learning, their training and inference efficiency is becoming increasingly critical. Additionally, the…