Preview

abs_ML
- data
  - ml_data
    - descriptor_DMB_leave_out_test.dat
      
      2.4 MB
    - descriptor_DMB_train.dat
      
      17.1 MB
    - lambda_DMB_leave_out_test.dat
      
      3.8 kB
    - lambda_DMB_train.dat
      
      27.8 kB
  - xyz_data
    - mDMB_ice_263K.xyz
      
      166.2 kB
    - mDMB_solution_300K.xyz
      
      173.8 kB
    - oDMB_ice_263K.xyz
      
      167.8 kB
    - oDMB_solution_300K.xyz
      
      170.1 kB
    - pDMB_ice_263K.xyz
      
      163.0 kB
    - pDMB_solution_300K.xyz
      
      169.3 kB
- demo_calculations
  - DMB.in
    
    999 Bytes
  - demo_DMB.py
    
    1.9 kB
  - fitsnap_metrics.md
    
    1.6 kB
  - lasso_model_DMB.dat
    
    15.5 kB
  - utility.py
    
    3.5 kB