https://github.com/deepmodeling/build-your-agent

An open project initiated by the DeepModeling community focused on constructing intelligent agents for scientific research. It is committed to assembling a reusable and extensible set of Agent-Ready tools, promoting the development and practical deployment of research agents through open collaboration.
https://github.com/deepmodeling/build-your-agent

Last synced: about 2 months ago
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An open project initiated by the DeepModeling community focused on constructing intelligent agents for scientific research. It is committed to assembling a reusable and extensible set of Agent-Ready tools, promoting the development and practical deployment of research agents through open collaboration.

• Host: GitHub
• URL: https://github.com/deepmodeling/build-your-agent
• Owner: deepmodeling
• License: mit
• Created: 2025-05-18T13:41:04.000Z (10 months ago)
• Default Branch: main
• Last Pushed: 2025-07-24T14:14:12.000Z (8 months ago)
• Last Synced: 2025-07-24T18:56:10.461Z (8 months ago)
• Language: TypeScript
• Size: 15.4 MB
• Stars: 18
• Watchers: 1
• Forks: 9
• Open Issues: 3
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# **Build Your Agent**



  An open-source initiative by the DeepModeling community for constructing intelligent agents in scientific research



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## **Overview**

Build Your Agent is a comprehensive collection of production-ready intelligent agents designed for real-world scientific research challenges. Our mission is to democratize AI agent development by providing well-architected examples that demonstrate practical design patterns and implementation methods.

We focus on creating agents that follow a systematic architecture: **Perception → Planning → Execution → Feedback**, enabling researchers to tackle complex scientific problems with AI-powered assistance.

## **🚀 Featured Agents**

### **1. SRAgent - Advanced Symbolic Regression System**

[`agents/SRAgent/`](agents/SRAgent)

Transform raw data into interpretable mathematical models through multi-agent collaboration.

- **Features**: Deep literature research, automatic report generation, iterative optimization

- **Use Case**: Discovering mathematical relationships in experimental data

### **2. DPA Calculator - Materials Science Computation**

[`agents/dpa_calculator/`](agents/dpa_calculator)

Perform advanced materials calculations using Deep Potential models on Bohrium platform.

- **Features**: Structure optimization, phonon calculations, natural language interface

- **Use Case**: Materials property prediction and structure analysis

### **3. Paper Search Demo - Research Literature Assistant**

[`agents/paper_search_demo/`](agents/paper_search_demo)

A beginner-friendly agent for searching and analyzing scientific papers from arXiv.

- **Features**: Paper retrieval, literature analysis, MCP integration

- **Use Case**: Literature review and research exploration

### **4. Thermoelectric MCP - Specialized Materials Analysis**

[`agents/thermoelectric_mcp/`](agents/thermoelectric_mcp)

Calculate thermoelectric properties of materials using advanced computational methods.

- **Features**: Property predictions, cloud-based calculations

- **Use Case**: Thermoelectric materials research and optimization

### **5. ADK UI Starter - Universal Agent Interface**

[`agents/adk_ui_starter/`](agents/adk_ui_starter)

A plug-and-play web UI framework for any Google ADK agent - no frontend coding required.

- **Features**: Zero-code integration, real-time chat, file management

- **Use Case**: Rapid agent deployment with professional UI

## **🎯 Application Scenarios**

Build Your Agent supports diverse scientific research workflows:

- **Literature Review & Synthesis**: Automated paper search, analysis, and review generation

- **Materials Design & Optimization**: Structure prediction, property calculation, and screening

- **Mathematical Modeling**: Symbolic regression and equation discovery from data

- **Drug Discovery**: Molecule screening based on multiple drug-likeness properties

- **Omics Data Analysis**: Cross-domain data integration and automated analysis

- **Custom Research Workflows**: Extensible framework for domain-specific applications

## **🚦 Getting Started**

1. **Choose an Agent**: Select from our featured agents based on your research needs

2. **Follow Setup Guide**: Each agent includes detailed installation and configuration instructions

3. **Customize & Extend**: Modify agents for your specific requirements or build new ones

4. **Deploy & Share**: Use our UI framework for rapid deployment and collaboration

## **📚 Documentation & Resources**

- **Agent Development Guides**: Step-by-step tutorials for building custom agents

- **Architecture Documentation**: Detailed explanation of the Perception → Planning → Execution → Feedback pattern

- **API References**: Comprehensive documentation for all agent tools and interfaces

- **Example Notebooks**: Jupyter notebooks demonstrating agent capabilities

## **🤝 Community & Contribution**

Build Your Agent is an open-source project welcoming contributions from the global research community:

- **Submit New Agents**: Share your domain-specific agents

- **Improve Existing Agents**: Enhance features and capabilities

- **Report Issues**: Help us improve by reporting bugs and suggesting features

- **Join Discussions**: Participate in our community forums and development discussions

## **🌟 Vision**

We envision a future where every researcher has access to intelligent AI assistants tailored to their specific domain. By providing high-quality examples and a robust framework, we aim to accelerate scientific discovery through the democratization of AI agent technology.

## **📄 License**

This project is licensed under the terms specified in the [LICENSE](LICENSE) file.

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  Start building your intelligent research assistant today!