complexa-sweep

Execute cartesian-product parameter sweeps over Proteina-Complexa design pipelines with Hydra-based configuration management.

413|62|Updated Jun 23, 2026
One-click install
npx skills add https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-sweep
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: complexa-sweep
Source: https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/plugins/bionemo-agent-toolkit/skills/complexa-sweep
Command: npx skills add https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-sweep

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes scripts (resource) and references (resource) components.

What problem does it solve?

This skill solves the challenge of manually managing and executing large-scale parameter sweeps for Proteina-Complexa design pipelines, ensuring consistent configuration generation and result aggregation.

Core Features & Use Cases

  • Cartesian-Product Sweeps: Automatically generate N inference and evaluation configurations from defined hyperparameter axes.
  • Automated Orchestration: Loop design pipelines over generated configs, handle multi-GPU sharding, and aggregate success metrics into ranked summaries.
  • Use Case: Optimize binder design by running a Pareto search over beam width and nsteps to find the best balance between wall-clock time and success rate.

Quick Start

Use the complexa-sweep skill to run a parameter scan over beam width and nsteps for the 02_PDL1 task.

Frequently Asked Questions about complexa-sweep

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I automate a parameter sweep for a protein design pipeline?

Executing a cartesian-product parameter sweep generates multiple inference configurations from defined hyperparameter axes and orchestrates pipeline execution across GPUs. It automatically aggregates post-run success metrics and ranks design configurations based on Pareto frontier analysis.

What is Pareto frontier analysis for optimizing binder design configurations?

Pareto frontier analysis for binder design evaluates generated configurations to find the optimal balance between wall-clock time and success rate. It ranks parameter sets automatically, helping identify the most efficient beam width and nsteps for the pipeline.

Can I run multi-GPU sharding for Proteina-Complexa generative model inference?

Yes, you can run multi-GPU sharding for Proteina-Complexa generative model inference. The skill handles automated orchestration by looping design pipelines over generated configurations and distributing the execution across available single or multiple GPUs.

Do I need Hydra configuration management to run hyperparameter optimization?

Yes, you need Hydra-based configuration management to run hyperparameter optimization with this skill. It relies on Hydra to manage the generation of inference configurations and execute the cartesian-product sweeps over the design pipelines.

How do I aggregate success metrics after a cartesian-product sweep?

To aggregate success metrics after a cartesian-product sweep, the skill performs post-run collection and ranks the design configurations. It automatically evaluates the results based on success rate and Pareto frontier analysis to summarize pipeline performance.