Sean sshojiro

## ab-test.ipynb

      
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              May 9, 2019 17:02
            
          
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## AnomalyAnalysisByGraphicalLASSO.ipynb

      
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                / AnomalyAnalysisByGraphicalLASSO.ipynb
            
            
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              April 25, 2019 19:52
            
          
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## rudimentary-mcmc-with-pymc.ipynb

      
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                sshojiro
                / rudimentary-mcmc-with-pymc.ipynb
            
            
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              April 16, 2019 21:00
            
              
                Rudimentary MCMC example with pymc. Attempt to model data sampled from Two-clustered Poisson distribution.
              
          
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## count_compounds.py
# command like `wc -l`

from rdkit.Chem.rdmolfiles import ForwardSDMolSupplier, SDMolSupplier
import sys
import gzip
argv = sys.argv[1:]
filename = argv[0]

if len(argv) > 1:
    option = argv[1]

## morgan_fingerprint_demo.ipynb

      
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                sshojiro
                / morgan_fingerprint_demo.ipynb
            
            
              Created
              October 29, 2018 11:53
            
              
                How hashed Morgan fingerprint works
              
          
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## Morgan_fingerprint_fragments.ipynb

      
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                / Morgan_fingerprint_fragments.ipynb
            
            
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              August 11, 2018 07:11
            
              
                Morgan fingerprint fragment retrieval fails
              
          
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## shootout.ipynb

      
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                sshojiro
                / shootout.ipynb
            
            
              Created
              August 4, 2018 16:22
            
              
                Mat file handling in Python
              
          
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## count_fragments.ipynb

      
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                sshojiro
                / count_fragments.ipynb
            
            
              Created
              August 4, 2018 11:37
            
              
                Count molecular fragments using RDKit in Python
              
          
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## file0.mat
>> timestampRegular = replace(join(split(datestr(now), ' '), '-'), ':', '-'); timestampRegular{1}

ans =

    '28-Jul-2018-19-35-05'

## pipeline-for-cheminformatics.ipynb

      
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                sshojiro
                / pipeline-for-cheminformatics.ipynb
            
            
              Created
              June 25, 2018 05:19
            
              
                Pipeline for Chemoinformatics
              
          
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	# command like `wc -l`

	from rdkit.Chem.rdmolfiles import ForwardSDMolSupplier, SDMolSupplier
	import sys
	import gzip
	argv = sys.argv[1:]
	filename = argv[0]

	if len(argv) > 1:
	option = argv[1]
	>> timestampRegular = replace(join(split(datestr(now), ' '), '-'), ':', '-'); timestampRegular{1}

	ans =

	'28-Jul-2018-19-35-05'