NVIDIA-BioNeMo/bionemo-agent-toolkit

What it solves

It enables AI agents to perform complex life science tasks by providing them with specialized "skills." These skills bridge the gap between general-purpose LLMs and highly technical scientific tools, allowing agents to handle protein folding, molecular docking, and genomic analysis without needing built-in expertise in these domains.

How it works

The toolkit packages NVIDIA's life sciences libraries, models, and tools as ready-to-call skills. Each skill provides an agent with structured instructions, scripts, and references. This allows the agent to select the correct tool, prepare the necessary inputs, execute the task, and interpret the results. These skills can be installed into agents like Claude Code or Codex using a CLI tool or via native plugin marketplaces.

Who it’s for

It is designed for developers building scientific AI agents and researchers in the life sciences who want to automate multi-step scientific workflows using LLMs.

Highlights

• Comprehensive Life Science Catalog: Includes skills for protein binder design, biomolecular structure prediction (Boltz-2, OpenFold), and DNA sequence generation (Evo 2).
• wget-ready Workflows: Supports multi-step pipelines, such as a generative virtual screening workflow that combines molecule generation, docking, and scoring.
• Broad Tool Integration: Integrates with NVIDIA NIM endpoints, Parabricks for genomics, and nvMolKit for cheminformatics.
• Agent-Agnostic Installation: Compatible with multiple agent frameworks through the skills CLI and dedicated plugin marketplaces.