High-Throughput Structure Prediction with BioNeMo Inference Runtime | NVIDIA Technical Blog

This post introduces the NVIDIA BioNeMo Inference Runtime (BioIR) for accelerating biomolecular structure-prediction models on NVIDIA GPUs, preserving PyTorch workflows. It details BioIR's end-to-end processor and direct PyTorch module integration, highlighting optimizations at the kernel, CUDA Graph, and Ray pipeline scaling levels. Benchmarks demonstrate significant throughput and energy efficiency gains for structure prediction tasks.