Biomolecular structure prediction is now often run at proteome scale, where the goal is to move an entire worklist through the pipeline efficiently. NVIDIA...

Biomolecular structure prediction is now often run at proteome scale, where the goal is to move an entire worklist through the pipeline efficiently. NVIDIA BioNeMo Inference Runtime (BioIR) helps accelerate supported biomolecular structure-prediction models on NVIDIA GPUs while keeping the familiar PyTorch workflow. It uses optimized kernels and, where applicable, CUDA Graphs to speed model…

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Useful quantum computers will require fault tolerant logical operations. Researchers are actively exploring many different quantum error correction (QEC) codes...

Useful quantum computers will require fault tolerant logical operations. Researchers are actively exploring many different quantum error correction (QEC) codes to enable this, improving the Logical Error Rates (LER) of Quantum Processing Units (QPUs). While it is well understood how to run logical operations with surface codes (which belong to the topological code family) via lattice surgery…

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Biomolecular structure prediction and co-folding with models like OpenFold3 are now mainstream, large-scale workloads powering drug discovery and protein...

Biomolecular structure prediction and co-folding with models like OpenFold3 are now mainstream, large-scale workloads powering drug discovery and protein design. Increasingly, they’re driven end-to-end by AI agents. For an agent to run that pipeline well, every step needs to be fast and scalable: Multiple Sequence Alignment (MSA) generation, co-folding inference, serving, and multi-GPU scale-out.

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AI scientists are emerging as a new interface for scientific computing. These agents can read papers, write code, generate hypotheses, call APIs, inspect files,...

AI scientists are emerging as a new interface for scientific computing. These agents can read papers, write code, generate hypotheses, call APIs, inspect files, and iterate on results. But science isn’t software engineering. There is no test suite that turns green when a hypothesis is correct; discovery is iterative, uncertain, and grounded in the physical world. You can’t take a general coding…

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When AlphaFold2 revolutionized drug discovery in 2020, its success relied entirely on the roughly 170,000 protein structures collected by scientists since 1971...

When AlphaFold2 revolutionized drug discovery in 2020, its success relied entirely on the roughly 170,000 protein structures collected by scientists since 1971 and preserved in the Protein Data Bank. Measured data is the backbone for all AI models and workflows that process data as it’s created, act on what matters in real time, and analyzes data for deep insights. With the current rise of modern…

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For decades, computational biology has operated under a reductionist compromise. To fit complex biological systems into the limited memory of a single GPU,...

For decades, computational biology has operated under a reductionist compromise. To fit complex biological systems into the limited memory of a single GPU, researchers have had to deconstruct them into isolated fragments—single proteins or small domains. This created a context gap, where larger proteins or complexes could not be folded zero-shot due to GPU hardware memory constraints. Now…

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Proteins rarely function in isolation as individual monomers. Most biological processes are governed by proteins interacting with other proteins, forming...

Proteins rarely function in isolation as individual monomers. Most biological processes are governed by proteins interacting with other proteins, forming protein complexes whose structures are described in the hierarchy of protein structure as the quaternary representation. This represents one level of complexity up from tertiary representations, the 3D structure of monomers…

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