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updated readme
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@ -17,6 +17,9 @@ out_sqlite = '../data/my.sqlite'
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table_name = 'my_table' # name for the SQLite database table
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table_name = 'my_table' # name for the SQLite database table
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chunksize = 100000 # number of lines to process at each iteration
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chunksize = 100000 # number of lines to process at each iteration
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# columns that should be read from the CSV file
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columns = ['molecule_id','charge','db','drugsnow','hba','hbd','loc','nrb','smiles']
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# Get number of lines in the CSV file
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# Get number of lines in the CSV file
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nlines = subprocess.check_output('wc -l %s' % in_csv, shell=True)
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nlines = subprocess.check_output('wc -l %s' % in_csv, shell=True)
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nlines = int(nlines.split()[0])
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nlines = int(nlines.split()[0])
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@ -33,7 +36,7 @@ for i in range(0, nlines, chunksize):
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skiprows=i) # skip rows that were already read
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skiprows=i) # skip rows that were already read
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# columns to read
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# columns to read
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df.columns = ['molecule_id','charge','db','drugsnow','hba','hbd','loc','nrb','smiles']
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df.columns = columns
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sql.to_sql(df,
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sql.to_sql(df,
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name=table_name,
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name=table_name,
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