Ricardo Avila ravila4

## vec_analysis.ipynb

      
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                ravila4
                / vec_analysis.ipynb
            
            
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              April 22, 2018 13:55
            
              
                Multi dimensional scaling of prot2vec embedding features on a collection of receptors
              
          
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## intro_biopython.ipynb

      
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              April 29, 2018 15:52
            
              
                Introduction to Biopython
              
          
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## linear_regression.ipynb

      
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                / linear_regression.ipynb
            
            
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              April 29, 2018 16:29
            
              
                Linear regression example with sklearn and statsmodels
              
          
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## Surface_plots.ipynb

      
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                / Surface_plots.ipynb
            
            
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              April 29, 2018 16:32
            
              
                Molecular surface plots with oddt
              
          
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## ORA_docking_results.ipynb

      
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                / ORA_docking_results.ipynb
            
            
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              April 29, 2018 16:39
            
              
                Orexin docking results
              
          
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## nglview.ipynb

      
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                / nglview.ipynb
            
            
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              April 29, 2018 22:25
            
              
                NGLView - Basics
              
          
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## BioservicesUniProt.ipynb

      
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                / BioservicesUniProt.ipynb
            
            
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              July 7, 2018 17:37
            
              
                Getting UniProt Annotations
              
          
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## Pharos_MySQL_connect.ipynb

      
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                / Pharos_MySQL_connect.ipynb
            
            
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              May 11, 2022 23:49
            
              
                Connecting to the Pharos MySQL database with Python
              
          
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## parse_drugbank_xml.py
import xmltodict
import pandas as pd

with open("full_database.xml") as db:
    doc = xmltodict.parse(db.read())

values = []
for item in doc['drugbank']['drug']:
    logp = None
    try:

## utility.py
# Utility script for feature generation
# Md Mahmudulla Hassan
# The University of Texas at El Paso
# Last Modified: 12/19/2018

import os
from rdkit import Chem
from rdkit.Chem import AllChem
import tempfile
import shutil
	import xmltodict
	import pandas as pd

	with open("full_database.xml") as db:
	doc = xmltodict.parse(db.read())

	values = []
	for item in doc['drugbank']['drug']:
	logp = None
	try:
	# Utility script for feature generation
	# Md Mahmudulla Hassan
	# The University of Texas at El Paso
	# Last Modified: 12/19/2018

	import os
	from rdkit import Chem
	from rdkit.Chem import AllChem
	import tempfile
	import shutil