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Challenge

Autonomous Scientific Discovery Agent

Inspired by groundbreaking collaborations in AI-driven drug discovery, this challenge tasks you with building an autonomous scientific research agent. Your agentic system will simulate the initial phases of drug or gene therapy development by autonomously reviewing scientific literature, generating novel hypotheses, and outlining experimental designs. Emphasize the use of a multi-agent framework to enable specialized roles (e.g., 'Literature Reviewer,' 'Hypothesis Generator,' 'Experimental Designer') that collaborate to achieve complex scientific goals. The system should be capable of processing vast amounts of information and presenting actionable insights.

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Challenge brief

What you are building

The core problem, expected build, and operating context for this challenge.

Build a multi-agent system using CrewAI and Mixtral 8x22B for autonomous scientific literature review and hypothesis generation.

Delivery guide

How work is evaluated

Evaluation

The evaluation will assess the agent system's ability to autonomously generate coherent scientific hypotheses and design experiments based on provided research questions. Emphasis will be on the quality of reasoning, novelty of hypotheses, and clarity of experimental steps.

Datasets

Challenge datasets

Public datasets, plus the private datasets you have access to.

Learning goals

What you should walk away with

  • Master CrewAI for orchestrating role-based, goal-oriented multi-agent workflows for complex tasks.

  • Implement advanced prompting techniques with Mixtral 8x22B to extract, synthesize, and generate scientific hypotheses from textual data.

  • Design and manage experiment configurations and parameter tuning using Hydra for reproducible scientific AI research.

  • Deploy and serve specialized AI models (e.g., protein folding, molecular dynamics simulators) via RunPod for on-demand scientific computation.

  • Orchestrate complex data ingestion, transformation, and analysis pipelines using Prefect to support agent decision-making and scientific output generation.

Resources and assets

Reference links and supporting material

Dataset notes

Sample data for 2 tasks

Challenge setup

The evaluation will assess the agent system's ability to autonomously generate coherent scientific hypotheses and design experiments based on provided research questions. Emphasis will be on the quality of reasoning,...

Challenge input

{'research_question': 'string', 'literature_keywords': ['string']}

Agent execution

No agent tool is listed for this challenge.

Evaluated output

{'hypotheses': [{'title': 'string', 'statement': 'string', 'justification': 'string'}]}

Evaluation checks
  • Checks if the output is a valid JSON object matching the expected schema.
  • Ensures at least 2 distinct hypotheses are generated.
Configured evaluation evidence
  • HypothesisNoveltyScore target: 0.7
Configured runtime
  • Python execution harness

Summary shows the first task, up to three tools, and up to three evidence items. Open the technical recipe to view all configured items.

View technical recipe

Configured tools

No tool records are attached.

Evaluation contract

  • Checks if the output is a valid JSON object matching the expected schema.
  • Ensures at least 2 distinct hypotheses are generated.

Metrics

  • HypothesisNoveltyScore · Target 0.7
  • ExperimentalDesignFeasibility · Target 0.8
  • RelevanceToResearchQuestion · Target 0.85

Workflow tasks

  1. Task 1

    Input: {'research_question': 'string', 'literature_keywords': ['string']}

    Output: {'hypotheses': [{'title': 'string', 'statement': 'string', 'justification': 'string'}]}

    Execution harness: Python

  2. Task 2

    Input: {'hypothesis': 'string', 'goal': 'string'}

    Output: {'experiment_title': 'string', 'objective': 'string', 'steps': ['string'], 'expected_outcomes': ['string']}

    Execution harness: Python

Recipe freeze marker

No recipe freeze time is recorded.

Frequently Asked Questions about Autonomous Scientific Discovery Agent