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Accelerating End-to-End Co-Folding Performance with NVIDIA BioNeMo Agent Toolkit

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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Mastering Agentic Techniques: AI Agent Reinforcement Learning

Reinforcement learning (RL) is central to aligning language models, from reinforcement learning with human feedback (RLHF) within AI assistants to newer...

Reinforcement learning (RL) is central to aligning language models, from reinforcement learning with human feedback (RLHF) within AI assistants to newer reinforcement learning with verifiable rewards (RLVR) workflows for reasoning and agent tasks. RL is now becoming a practical technique for specialized AI where enterprises need more accurate agents for domain-specific workflows.

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Build an AI Scientist for Life Science Discovery with NVIDIA BioNeMo Agent Toolkit

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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Accelerate Clean, Modular, Nuclear Reactor Design with AI Physics

The development of socially acceptable nuclear reactors requires that they are safe, clean, efficient, economical, and sustainable. Meeting these requirements...

The development of socially acceptable nuclear reactors requires that they are safe, clean, efficient, economical, and sustainable. Meeting these requirements calls for new approaches, driving growing interest in Small Modular Reactors (SMRs) and in Generation IV designs. SMRs aim to improve project economics by standardising designs and shifting construction to controlled manufacturing…

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