Originally published at: Optimizing Drug Discovery with CUDA Graphs, Coroutines, and GPU Workflows | NVIDIA Technical Blog
Pharmaceutical research demands fast, efficient simulations to predict how molecules interact, speeding up drug discovery. Jiqun Tu, a senior developer technology engineer at NVIDIA, and Ellery Russell, tech lead for the Desmond engine at Schrödinger, explore advanced GPU optimization techniques designed to accelerate molecular dynamics simulations. In this NVIDIA GTC 2024 session, they present practical…