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site_name: AIAgents4Pharma
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nav:
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  - Home: index.md
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  - Talk2AIAgents4Pharma:
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      - Introduction: talk2aiagents4pharma/intro.md
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      - Agents:
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          - T2AA4P agent: talk2aiagents4pharma/agents/main_agent.md
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      - States:
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          - T2AA4P state: talk2aiagents4pharma/states/state_talk2aiagents4pharma.md
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  - Talk2Biomodels:
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      - Introduction: talk2biomodels/intro.md
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      - FAQ: talk2biomodels/faq.md
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      - Case Studies:
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          - Precision medicine: talk2biomodels/cases/Case_1.md
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          - Epidemiology: talk2biomodels/cases/Case_2.md
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          - Emergent system properties: talk2biomodels/cases/Case_3.md
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      - Tutorials:
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          - ./notebooks/talk2biomodels/tutorial_load_model.ipynb
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          - ./notebooks/talk2biomodels/example_models.md
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      - Agents:
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          - T2B agent: talk2biomodels/agents/t2b_agent.md
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      - States:
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          - T2B state: talk2biomodels/states/state_talk2biomodels.md
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      - Models:
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          - System Bio Model: talk2biomodels/models/sys_bio_model.md
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          - Basico Model: talk2biomodels/models/basico_model.md
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      - Tools:
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          - Search models: talk2biomodels/tools/search_models.md
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          - Model information: talk2biomodels/tools/get_modelinfo.md
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          - Simulate model: talk2biomodels/tools/simulate_model.md
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          - Ask questions: talk2biomodels/tools/ask_question.md
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          - Custom plots: talk2biomodels/tools/custom_plotter.md
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          - Load biomodel: talk2biomodels/tools/load_biomodel.md
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  - Talk2Cells:
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      - Talk2Cells: talk2cells/intro.md
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      - Tutorials:
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          - Cell Annotation: ./notebooks/talk2cells/tutorial_cell_annotation.ipynb
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          - Cell Discovery: ./notebooks/talk2cells/tutorial_cell_discovery.ipynb
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          - UMAP Visualization: ./notebooks/talk2cells/tutorial_UMAP_visualization.ipynb
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          - Cell Type Proportion: ./notebooks/talk2cells/tutorial_cell_type_proportion.ipynb
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      - Agents:
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          - SCP Agent: talk2cells/agents/scp_agent.md
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      - States:
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          - Talk2Cells: talk2cells/states/state_talk2cells.md
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      - Tools:
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          - Search studies: talk2cells/tools/search_studies.md
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          - Display studies: talk2cells/tools/display_studies.md
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  - Talk2KnowledgeGraphs:
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      - Introduction: talk2knowledgegraphs/intro.md
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      - Tutorials:
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          - PrimeKG: ./notebooks/talk2knowledgegraphs/tutorial_primekg_loader.ipynb
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          - StarkQA-PrimeKG: ./notebooks/talk2knowledgegraphs/tutorial_starkqa_primekg_loader.ipynb
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          - BioBridge-PrimeKG: ./notebooks/talk2knowledgegraphs/tutorial_biobridge_primekg_loader.ipynb
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          - PrimeKG Subgraph Extraction: ./notebooks/talk2knowledgegraphs/tutorial_primekg_subgraph.ipynb
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          - Textual Embeddings (all-minilm): ./notebooks/talk2knowledgegraphs/tutorial_starkqa_primekg_textual_embeddings_all_minilm.ipynb
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          - Textual Embeddings (nomic-embed-text): ./notebooks/talk2knowledgegraphs/tutorial_starkqa_primekg_textual_embeddings_nomic_embed_text.ipynb
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          - Drug Enrichments/Embeddings (SMILES/molmim): ./notebooks/talk2knowledgegraphs/tutorial_primekg_smiles_enrich_embed.ipynb
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          - Protein Embeddings: ./notebooks/talk2knowledgegraphs/tutorial_biobridge_primekg_protein_embeddings.ipynb
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          - Embedding Alignment: ./notebooks/talk2knowledgegraphs/tutorial_multimodal_embeddings_alignment.ipynb
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          - Evaluation (VSS): ./notebooks/talk2knowledgegraphs/tutorial_starkqa_primekg_evaluation_vss.ipynb
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          - Talk2KG Agentic Tools: ./notebooks/talk2knowledgegraphs/tutorial_talk2kg_agentic_tools.ipynb
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          - PyG2DataFrame: ./notebooks/talk2knowledgegraphs/tutorial_pyg2dataframe.ipynb
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          - UniProt ID Mapping: ./notebooks/talk2knowledgegraphs/tutorial_uniprot_mapping.ipynb
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      - Datasets:
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          - Dataset: talk2knowledgegraphs/datasets/dataset.md
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          - PrimeKG: talk2knowledgegraphs/datasets/primekg.md
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          - StarkQA-PrimeKG: talk2knowledgegraphs/datasets/starkqa_primekg.md
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          - BioBridge-PrimeKG: talk2knowledgegraphs/datasets/biobridge_primekg.md
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      - Utils:
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          - Embeddings:
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              - Embeddings: talk2knowledgegraphs/utils/embeddings/embeddings.md
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              - EmbeddingWithSentenceTransformer: talk2knowledgegraphs/utils/embeddings/sentence_transformer.md
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              - EmbeddingWithHuggingFace: talk2knowledgegraphs/utils/embeddings/huggingface.md
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              - EmbeddingWithOllama: talk2knowledgegraphs/utils/embeddings/ollama.md
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              - EmbeddingWithMOLMIM: talk2knowledgegraphs/utils/embeddings/nim_molmim.md
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          - Enrichments:
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              - Enrichments: talk2knowledgegraphs/utils/enrichments/enrichments.md
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              - EnrichmentWithOllama: talk2knowledgegraphs/utils/enrichments/ollama.md
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              - EnrichmentWithPubChem: talk2knowledgegraphs/utils/enrichments/pubchem_strings.md
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      - Agents:
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          - Talk2KG Agent: talk2knowledgegraphs/agents/t2kg_agent.md
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      - States:
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          - Talk2KG State: talk2knowledgegraphs/states/state_talk2knowledgegraphs.md
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      - Tools:
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          - Subgraph Extraction: talk2knowledgegraphs/tools/subgraph_extraction.md
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          - Subgraph Summarization: talk2knowledgegraphs/tools/subgraph_summarization.md
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          - GraphRAG Reasoning: talk2knowledgegraphs/tools/graphrag_reasoning.md
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          - Load Arguments: talk2knowledgegraphs/tools/load_arguments.md
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  - Talk2Scholars:
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      - Introduction: talk2scholars/intro.md
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      - Tutorials: ./notebooks/talk2scholars/tutorial.ipynb
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      - Agents:
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          - Main Agent: talk2scholars/agents/main_agent.md
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          - S2 Agent: talk2scholars/agents/s2_agent.md
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          - Paper Download Agent: talk2scholars/agents/paper_download_agent.md
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          - Zotero Agent: talk2scholars/agents/zotero_agent.md
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          - PDF Agent: talk2scholars/agents/pdf_agent.md
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      - States:
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          - Talk2Scholars state: talk2scholars/states/state_talk2scholars.md
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      - Tools:
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          - Search papers: talk2scholars/tools/search.md
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          - Single paper recommendation: talk2scholars/tools/single_paper_rec.md
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          - Multi paper recommendation: talk2scholars/tools/multi_paper_rec.md
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          - Display results: talk2scholars/tools/display_results.md
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          - Query results: talk2scholars/tools/query_results.md
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          - Retrieve ID: talk2scholars/tools/retrieve_semantic_scholar_paper_id.md
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          - Download Arxiv Input: talk2scholars/tools/download_arxiv_input.md
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          - Arxiv Downloader: talk2scholars/tools/arxiv_downloader.md
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          - Abstract Downloader: talk2scholars/tools/abstract_downloader.md          
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          - Zotero Read: talk2scholars/tools/zotero_read.md
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          - Question and answer: talk2scholars/tools/question_and_answer.md
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  - Documentation:
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      - Ops:
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          - Introduction: ops/Documentation_intro.md
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          - CodeOps: ops/CodeOps.md
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          - DevOps: ops/DevOps.md
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      - Contributing:
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          - Contributing: CONTRIBUTING.md
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repo_url: https://github.com/VirtualPatientEngine/AIAgents4Pharma
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repo_name: VPE/AIAgents4Pharma
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extra_css:
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  - VPE.png
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theme:
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  name: material
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  logo: assets/VPE.png
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  palette:
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    - accent: black
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      primary: white
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      scheme: default
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      toggle:
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        icon: material/toggle-switch-off-outline
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        name: Switch to dark mode
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    - accent: black
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      primary: white
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      scheme: slate
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      toggle:
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        icon: material/toggle-switch
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        name: Switch to light mode
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  features:
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    - navigation.top
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    - navigation.tabs
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    - navigation.instant
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    - navigation.expand
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    - search.suggest
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    - search.highlight
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    - content.code.copy
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    - navigation.scrollable
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plugins:
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  - search:
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      lang:
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        - en
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        - de
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  - mkdocstrings:
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      handlers:
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        python:
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          options:
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            filters: None
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  - mkdocs-jupyter:
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      include_source: True
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  - tags
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  - include-markdown
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markdown_extensions:
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  - pymdownx.highlight
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    # anchor_linenums: true
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    # line_spans: __span
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    # pygments_lang_class: true
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  - pymdownx.superfences
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extra:
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  notebooks:
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    - overview.md: notebooks/overview.md