Preview

GearBindv2
- .gitignore
  
  53 Bytes
- LICENSE
  
  9.1 kB
- README.md
  
  4.7 kB
- config
  - predict
    - CR3022_BindDDG.yaml
      
      721 Bytes
    - CR3022_GearBind.yaml
      
      1.3 kB
    - CR3022_GearBindP.yaml
      
      1.3 kB
    - HER2_BindDDG.yaml
      
      654 Bytes
    - HER2_GearBind.yaml
      
      1.2 kB
    - HER2_GearBindP.yaml
      
      1.2 kB
- data
  - 1n8z.pdb
    
    508.6 kB
  - 6xc3_ba11.pdb
    
    399.3 kB
  - 6xc3_ba4.pdb
    
    398.5 kB
  - 6xc3_wt.pdb
    
    397.2 kB
  - CR3022_segments.csv
    
    221 Bytes
  - HER2_binders.csv
    
    40.3 kB
  - skempi_v2_with_all_results_0415.csv
    
    2.8 MB
- gearbind
  - __init__.py
    
    0 Bytes
  - dataset.py
    
    17.8 kB
  - geometry.py
    
    7.0 kB
  - layer.py
    
    11.7 kB
  - model.py
    
    10.6 kB
  - residue_constants.py
    
    26.2 kB
  - task.py
    
    5.7 kB
  - util.py
    
    4.7 kB
- results
  - GearBind_HER2_1n8z_renum.pdb_HL_C.csv
    
    50.9 kB
- script
  - fix_pdb.py
    
    6.5 kB
  - predict.py
    
    2.7 kB
  - process_skempi.py
    
    12.9 kB
__MACOSX
- ._GearBindv2
  
  220 Bytes
- GearBindv2
  - ._README.md
    
    176 Bytes