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Apps Overview

AtomGPT.org hosts 50+ web applications for materials science. Each app provides a web interface, REST API endpoints, and Python examples for agentic workflows.

Categories

Category Apps Description
Explore 22 Browse databases, search materials, visualize properties
Build 4 Construct structures, design workflows, write code
Predict 6 ML predictions, force fields, quantum algorithms
Characterize 3 Match spectra, analyze images, identify structures
Apply 5 Screen materials for specific applications
Validate 2 Verify AI outputs, check references

Architecture

Every app follows the same pattern:

┌─────────────┐     ┌──────────────┐     ┌─────────────┐
│  HTML/JS    │────▶│  FastAPI      │────▶│  JARVIS     │
│  Frontend   │◀────│  Backend      │◀────│  Data/ML    │
└─────────────┘     └──────────────┘     └─────────────┘
       │                    │
       ▼                    ▼
   Web Browser         REST API
                    (for agents/scripts)
  • Frontend: Single HTML file with embedded CSS/JS, dark theme
  • Backend: FastAPI route with authentication, served from custom_routes/
  • Data: JARVIS-DFT (76K materials), ALIGNN models, Wannier TBH databases