NVIDIA Details BioNeMo Inference Runtime (BioIR): 2.90x Higher Boltz-2 Folding Throughput and 58.5K Residues per GPU-Hour on 8xH100

NVIDIA has detailed BioNeMo Inference Runtime (BioIR), a Python library that accelerates biomolecular structure-prediction models on NVIDIA GPUs while staying in plain PyTorch. In a matched benchmark on 1,000 human dimer targets across 8xH100 GPUs, BioIR-accelerated Boltz-2 delivered 58.5K successfully folded residues per GPU-hour versus 20.2K for a torch-compiled open-source implementation, a 2.90x gain. The runtime optimizes at 3 layers: custom kernel selection, CUDA Graph capture, and Ray-based replica scaling that places 1 full model copy per GPU. BioIR already powered the AlphaFold Database expansion, generating about 31 million candidate protein complexes across 4,777 proteomes.

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