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9311c3a
1
Parent(s):
37bff71
Update code/alphafold_featureVector.py
Browse files
code/alphafold_featureVector.py
CHANGED
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@@ -195,8 +195,7 @@ def alphafold(input_set, mode, impute):
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model_count[k] = int(v / 2) # two types of files for each file.
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data_updated = pd.DataFrame(columns = data.columns)
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new_ind =0
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st.write(data)
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for i in data.index:
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uniprotID = data.at[i, 'uniprotID']
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datapoint = data.at[i, 'datapoint']
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@@ -253,8 +252,7 @@ def alphafold(input_set, mode, impute):
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data_updated.at[new_ind, 'distance'] = domainDistanceModels(domStart, domEnd, coordinates, varPos)
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for col in UNIPROT_ANNOTATION_COLS[0:30]:
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allDist = []
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st.write(col, data.at[i, col])
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if (data.at[i, col] != np.NaN) & (data.at[i, col] != 'hit') & (data.at[i, col] != '[]') & (
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data.at[i, col] != []):
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annots_list = ast.literal_eval(data.at[i, col])
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@@ -276,8 +274,7 @@ def alphafold(input_set, mode, impute):
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data_updated.at[new_ind, col] = np.NaN
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new_ind +=1
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st.write(data_updated)
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data_updated = selectMaxAnnot(data_updated)
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data_updated = data_updated.sort_values(['hitTotal', 'annotTotal'], ascending = [False, True])
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data_updated = data_updated.drop_duplicates(['datapoint'])
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@@ -466,4 +463,4 @@ def alphafold(input_set, mode, impute):
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minutes, seconds = divmod(rem, 60)
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print("Time passed: {:0>2}:{:0>2}:{:05.2f}".format(int(hours), int(minutes), seconds))
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return
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model_count[k] = int(v / 2) # two types of files for each file.
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data_updated = pd.DataFrame(columns = data.columns)
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new_ind =0
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+
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for i in data.index:
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uniprotID = data.at[i, 'uniprotID']
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datapoint = data.at[i, 'datapoint']
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data_updated.at[new_ind, 'distance'] = domainDistanceModels(domStart, domEnd, coordinates, varPos)
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for col in UNIPROT_ANNOTATION_COLS[0:30]:
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allDist = []
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+
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if (data.at[i, col] != np.NaN) & (data.at[i, col] != 'hit') & (data.at[i, col] != '[]') & (
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data.at[i, col] != []):
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annots_list = ast.literal_eval(data.at[i, col])
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data_updated.at[new_ind, col] = np.NaN
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new_ind +=1
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data_updated = selectMaxAnnot(data_updated)
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data_updated = data_updated.sort_values(['hitTotal', 'annotTotal'], ascending = [False, True])
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data_updated = data_updated.drop_duplicates(['datapoint'])
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minutes, seconds = divmod(rem, 60)
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print("Time passed: {:0>2}:{:0>2}:{:05.2f}".format(int(hours), int(minutes), seconds))
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return final_data
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