alignn/mkdocs.yml at main · atomgptlab/alignn · GitHub

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site_name: ALIGNN
site_description: Atomistic Line Graph Neural Network for materials property prediction and force-fields
site_url: https://atomgptlab.github.io/alignn/
repo_url: https://github.com/atomgptlab/alignn
repo_name: atomgptlab/alignn
edit_uri: edit/develop/docs/

theme:
  name: material
  features:
    - navigation.instant
    - navigation.tabs
    - navigation.sections
    - navigation.top
    - content.code.copy
    - content.action.edit
    - search.suggest
    - search.highlight
    - toc.follow
  palette:
    - media: "(prefers-color-scheme: light)"
      scheme: default
      primary: indigo
      accent: indigo
      toggle:
        icon: material/weather-night
        name: Switch to dark mode
    - media: "(prefers-color-scheme: dark)"
      scheme: slate
      primary: indigo
      accent: indigo
      toggle:
        icon: material/weather-sunny
        name: Switch to light mode
  icon:
    repo: fontawesome/brands/github

markdown_extensions:
  - admonition
  - attr_list
  - md_in_html
  - tables
  - toc:
      permalink: true
  - pymdownx.details
  - pymdownx.superfences
  - pymdownx.tabbed:
      alternate_style: true
  - pymdownx.highlight:
      anchor_linenums: true
      line_spans: __span
      pygments_lang_class: true
  - pymdownx.inlinehilite
  - pymdownx.snippets
  - pymdownx.arithmatex:
      generic: true

plugins:
  - search

extra:
  social:
    - icon: fontawesome/brands/github
      link: https://github.com/atomgptlab/alignn
    - icon: fontawesome/brands/python
      link: https://pypi.org/project/alignn/

nav:
  - Home: index.md
  - Installation: installation.md
  - Colab Notebooks: examples-colab.md
  - Training:
      - Dataset Format: training/dataset-format.md
      - Single-Output Regression: training/single-output-regression.md
      - Classification: training/classification.md
      - Multi-Output Regression: training/multi-output-regression.md
      - Force-Field / MLIP: training/force-field.md
      - Multi-GPU & High-Throughput: training/multi-gpu.md
  - Pre-trained Models:
      - Overview: pretrained/index.md
      - Property Predictors: pretrained/property-predictor.md
      - ALIGNN-FF: pretrained/alignn-ff.md
  - Usage:
      - ASE Calculator: usage/ase-calculator.md
      - MD & Relaxation (pure PyTorch): usage/md-integrators.md
      - LAMMPS Pair Style (native C++): usage/lammps-pair-style.md
      - Tutorial — Melt-Quench → RDF: usage/melt-quench-tutorial.md
      - Web Apps: usage/webapps.md
  - Reference:
      - Package Overview: api.md
      - Config Reference: reference/config-reference.md
      - Performance: performance.md
      - Notes & FAQ: notes.md
      - References: references.md
  - Contributing: contributing.md