Patrick Walters PatWalters

## random_hexapeptides.ipynb

      
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                PatWalters
                / random_hexapeptides.ipynb
            
            
              Created
              May 29, 2024 17:42
            
              
                A simple example showing how to generate random hexapeptides
              
          
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## bootstrap_AUC.ipynb

      
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                / bootstrap_AUC.ipynb
            
            
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              April 7, 2024 17:24
            
          
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## Compare_PROTACs_and_Drugs.ipynb

      
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                / Compare_PROTACs_and_Drugs.ipynb
            
            
              Created
              April 7, 2024 17:07
            
          
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## reinvent_ring_system_check.ipynb

      
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                / reinvent_ring_system_check.ipynb
            
            
              Created
              April 3, 2024 23:15
            
          
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## distribution_demo.ipynb

      
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                / distribution_demo.ipynb
            
            
              Created
              December 3, 2023 01:10
            
          
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## astartes_test_v2.ipynb

      
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                / astartes_test_v2.ipynb
            
            
              Created
              November 23, 2023 01:55
            
          
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## astartes_test.ipynb

      
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                / astartes_test.ipynb
            
            
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              November 22, 2023 22:01
            
          
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## screening_database_enhancement.ipynb

      
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                / screening_database_enhancement.ipynb
            
            
              Last active
              November 15, 2023 01:26
            
          
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## 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

      
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                PatWalters
                / circle_grid_demo.ipynb
            
            
              Last active
              December 7, 2023 08:11
            
              
                A quick demo of the circle_grid facility in datamol
              
          
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	#!/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)