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mkdocs.yml
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site_name: "datamol"
site_description: "A python library to work with molecules. Built on top of RDKit."
repo_url: "https://github.com/datamol-org/datamol"
repo_name: "datamol-org/datamol"
copyright: Copyright 2020 - 2022 Valence
site_url: ""
remote_branch: "gh-pages"
use_directory_urls: false
docs_dir: "docs"
nav:
- Overview: index.md
- Usage: usage.md
- Tutorials:
- The Basics: tutorials/The_Basics.ipynb
- Preprocessing Molecules: tutorials/Preprocessing_Molecules.ipynb
- Cluster Molecules: tutorials/Cluster_Molecules.ipynb
- Fragment and Scaffold: tutorials/Fragment_and_Scaffold.ipynb
- Visualization: tutorials/Visualization.ipynb
- Working with local and remote data: tutorials/Filesystem.ipynb
- API:
- datamol: api/datamol.md
- datamol.descriptors: api/datamol.descriptors.md
- datamol.conformers: api/datamol.conformers.md
- datamol.viz: api/datamol.viz.md
- datamol.fragment: api/datamol.fragment.md
- datamol.scaffold: api/datamol.scaffold.md
- datamol.reactions: api/datamol.reactions.md
- datamol.actions: api/datamol.actions.md
- datamol.molar: api/datamol.molar.md
- datamol.align: api/datamol.align.md
- datamol.utils: api/datamol.utils.md
- Contribute: contribute.md
- License: license.md
theme:
name: material
# NOTE(hadim): to customize the material primary and secondary
# color check `docs/assets/css/datamol-custom.css`.
features:
- navigation.expand
favicon: images/logo.png
logo: images/logo.png
extra_css:
- assets/css/custom.css
- assets/css/custom-datamol.css
- assets/css/tweak-width.css
extra_javascript:
- assets/js/google-analytics.js
markdown_extensions:
- admonition
- markdown_include.include
- pymdownx.emoji
- pymdownx.magiclink
- pymdownx.superfences
- pymdownx.tabbed
- pymdownx.tasklist
# For `tab_length=2` in the markdown extension
# See https://github.com/mkdocs/mkdocs/issues/545
- mdx_truly_sane_lists
- toc:
permalink: true
toc_depth: 4
plugins:
- search
- mkdocstrings:
watch:
- datamol/
handlers:
python:
setup_commands:
- import sys
- sys.path.append("docs")
- sys.path.append("datamol")
selection:
new_path_syntax: true
rendering:
show_root_heading: true
heading_level: 4
show_root_full_path: false
- mkdocs-jupyter:
execute: false
# kernel_name: python3
- mike:
version_selector: true
extra:
version:
# Multi versioning provider for mkdocs-material (used for the JS selector)
provider: mike