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Scripts for Operating the Lab

This folder contains operational scripts for:

  • Data/measurement analysis
  • Agentic experiment-design workflows
  • Experiment submission

Analysis workflows

  • analysis_workflow.py: Main analysis pipeline to fit impedance data and extract phase information from XRD data

Agentic workflows

These scripts define and run agent workflows for experiment planning and reporting:

  • agent_abnormality_detection.py
    • Detects abnormal materials/experiments in the dataset
  • agent_pattern_finding.py
    • Pattern-finding workflow to propose new experiments
  • agent_bo_assisted_pattern_finding.py
    • Bayesian-optimization-assisted pattern finding for new experiment proposals
  • agent_summarize.py
    • Summarizes experiment results into short notes for future agent runs
  • agent_prompts.py
    • Prompt and workflow definitions used by agent scripts

Note: You will need to supply API keys for the agents to work. Create a .env file in the root directory and add the following keys:

OPENAI_API_KEY=xxxxxxxxxxxxxxxxx
OPENAI_AGENTS_DISABLE_TRACING=1

Experiment submission

  • submit_experiment.ipynb
    • Notebook for submitting experiments to the lab when A-Lab GPSS is running
    • For a simulated/local stack setup, follow: