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paper-figure-scripts-and-data
- .DS_Store
  
  6.1 kB
- .gitignore
  
  144 Bytes
- 1_structure_parsing_uniqueness_analysis
  - .DS_Store
    
    6.1 kB
  - README.md
    
    384 Bytes
  - sankey
    - .DS_Store
      
      6.1 kB
    - data_for_sankey.json
      
      1.0 kB
    - sankey_structure_uniqueness_plot.py
      
      3.4 kB
  - venn
    - .DS_Store
      
      6.1 kB
    - data.json
      
      46.2 MB
    - get_numbers.py
      
      1.1 kB
- 2_workflow_results
  - README.md
    
    1.4 kB
  - data_atoms.json
    
    1.9 MB
  - data_species.json
    
    1.9 MB
  - plot.py
    
    3.1 kB
- 3_workflow_failures
  - README.md
    
    764 Bytes
  - data.json
    
    3.1 MB
  - plot.py
    
    3.6 kB
- 4_volume_change
  - .DS_Store
    
    6.1 kB
  - README.md
    
    248 Bytes
  - data.json
    
    11.1 MB
  - plot.py
    
    2.7 kB
- 5_database_comparison
  - README.md
    
    1.9 kB
  - extract_data.py
    
    6.8 kB
- 6_volume_change_high_pressure_temperature
  - .DS_Store
    
    6.1 kB
  - README.md
    
    594 Bytes
  - data.json
    
    168.6 kB
  - plot.py
    
    2.2 kB
- pyproject.toml
  
  333 Bytes
- uv.lock
  
  148.2 kB