Patrick Walters PatWalters

## bootstrap_AUC.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / bootstrap_AUC.ipynb
            
            
              Created
              April 7, 2024 17:24
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## Compare_PROTACs_and_Drugs.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / Compare_PROTACs_and_Drugs.ipynb
            
            
              Created
              April 7, 2024 17:07
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## reinvent_ring_system_check.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / reinvent_ring_system_check.ipynb
            
            
              Created
              April 3, 2024 23:15
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## distribution_demo.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / distribution_demo.ipynb
            
            
              Created
              December 3, 2023 01:10
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## astartes_test_v2.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / astartes_test_v2.ipynb
            
            
              Created
              November 23, 2023 01:55
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## astartes_test.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / astartes_test.ipynb
            
            
              Created
              November 22, 2023 22:01
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## screening_database_enhancement.ipynb

      
              3 files
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / screening_database_enhancement.ipynb
            
            
              Last active
              November 15, 2023 01:26
            
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## parse_chemfp.py
#!/usr/bin/env python

import os
import sys
import pandas as pd
from tqdm.auto import tqdm

if len(sys.argv) != 4:
    print(f"usage: {sys.argv[0]} cutoff infile outfile")
    sys.exit(1)

## circle_grid_demo.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              5 stars
            
          
                PatWalters
                / circle_grid_demo.ipynb
            
            
              Last active
              December 7, 2023 08:11
            
              
                A quick demo of the circle_grid facility in datamol
              
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
      
    
## circle_grid_demo.ipynb

      
              1 file
            
          
              0 forks
            
          
              0 comments
            
          
              0 stars
            
          
                PatWalters
                / circle_grid_demo.ipynb
            
            
              Created
              June 15, 2023 01:14
            
              
                demo of the dm.viz.circlegrid
              
          
      Sorry, something went wrong. Reload?
      Sorry, we cannot display this file.
      Sorry, this file is invalid so it cannot be displayed.
      
          Viewer requires iframe.
	#!/usr/bin/env python

	import os
	import sys
	import pandas as pd
	from tqdm.auto import tqdm

	if len(sys.argv) != 4:
	print(f"usage: {sys.argv[0]} cutoff infile outfile")
	sys.exit(1)