mkdocs.yml

site_name: AtomGPT.org API (AGAPI) Documentation
site_url: https://atomgptlab.github.io/agapi
site_description: Documentation for AtomGPT.org - 50+ web apps for materials science, AI, and quantum computation
site_author: Kamal Choudhary
repo_url: https://github.com/atomgptlab/agapi
repo_name: atomgptlab/agapi
edit_uri: edit/main/docs/

copyright: "© 2025 AtomGPTLab, Johns Hopkins University"

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extra_css:
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nav:
  - Home: index.md
  - Getting Started:
    - getting-started/index.md
    - Quick Start: getting-started/quickstart.md
    - Authentication: getting-started/authentication.md
    - API Overview: getting-started/api-overview.md
  - Apps:
    - apps/index.md
    - Explore:
      - apps/explore/index.md
      - Materials Explorer: apps/explore/materials-explorer.md
      - Electronic DOS: apps/explore/electronic-dos.md
      - Phonon DOS: apps/explore/phonon-dos.md
      - Dielectric Function: apps/explore/dielectric-function.md
      - Elastic Tensor: apps/explore/elastic-tensor.md
      - Thermoelectric: apps/explore/thermoelectric.md
      - EFG: apps/explore/efg.md
      - Piezoelectric: apps/explore/piezoelectric.md
      - IR Spectra: apps/explore/ir.md
      - Spillage: apps/explore/spillage.md
      - Vacancy Explorer: apps/explore/vacancy.md
      - Surface Explorer: apps/explore/surface.md
      - Interface Explorer: apps/explore/interface.md
      - Interface Database: apps/explore/interface-db.md
      - 2D Materials: apps/explore/twod.md
      - Polymer Explorer: apps/explore/polymer.md
      - Force Field DB: apps/explore/ff.md
      - Periodic Table: apps/explore/periodic-table.md
      - HEA Explorer: apps/explore/hea.md
      - Reaction Network: apps/explore/reaction-network.md
      - PDB Explorer: apps/explore/pdb-explorer.md
      - OPTIMADE Explorer: apps/explore/optimade.md
      - Convex Hull: apps/explore/convexhull.md
      - Literature Explorer: apps/explore/literature.md
      - OMIM Gene Explorer: apps/explore/omim.md
      - SDSS SkyServer: apps/explore/sdss.md
      - Web Browser: apps/explore/webbrowser.md
      - Unit Converter: apps/explore/unit-converter.md
      - Tokenizer Playground: apps/explore/tokenizer.md
    - Build:
      - apps/build/index.md
      - Structure Visualizer: apps/build/structure-visualizer.md
      - Heterostructure Builder: apps/build/heterostructure.md
      - Polymer Chain Builder: apps/build/polymer-builder.md
      - Workflow Builder: apps/build/workflow.md
    - Predict:
      - apps/predict/index.md
      - ALIGNN Predictor: apps/predict/alignn.md
      - ALIGNN-FF Dynamics: apps/predict/alignn-ff.md
      - SlakoNet Bands: apps/predict/slakonet.md
      - Wannier TB Bands: apps/predict/wtb.md
      - Quantum Computation: apps/predict/quantum.md
      - Protein Fold: apps/predict/protein-fold.md
    - Characterize:
      - apps/characterize/index.md
      - XRD / DiffractGPT: apps/characterize/xrd.md
      - Raman Matching: apps/characterize/raman.md
      - MicroscopyGPT: apps/characterize/microscopy.md
    - Apply:
      - apps/apply/index.md
      - SuperconGPT: apps/apply/supercon.md
      - Solar Cell Screening: apps/apply/solar.md
      - Battery Explorer: apps/apply/battery.md
      - Catalysis: apps/apply/catalysis.md
      - Direct Air Capture: apps/apply/dac.md
      - HardMat: apps/apply/hardmat.md
      - MeltMat: apps/apply/meltmat.md
      - PourbaixMat: apps/apply/pourbaix.md
    - Validate:
      - apps/validate/index.md
      - AI Detector: apps/validate/ai-detector.md
      - Hallucination Detector: apps/validate/hallucination.md
  - API Reference:
    - api/index.md
    - Python Client: api/python-client.md
    - REST Endpoints: api/rest-endpoints.md
    - AGAPI Agents: api/agents.md
    - OPTIMADE: api/optimade.md
  - Tutorials:
    - tutorials/index.md
    - Getting Started with JARVIS: tutorials/jarvis-basics.md
    - ML Property Prediction: tutorials/ml-prediction.md
    - ALIGNN-FF Molecular Dynamics: tutorials/alignn-ff-md.md
    - Quantum VQE for Solids: tutorials/quantum-vqe.md
    - Building Custom Apps: tutorials/custom-apps.md
  - References:
    - references/index.md
    - Publications: references/publications.md
    - Changelog: references/changelog.md