libokj commited on
Commit
2d3c2cf
·
1 Parent(s): 76ef84c

Update app.py

Browse files
Files changed (1) hide show
  1. app.py +6 -6
app.py CHANGED
@@ -347,8 +347,8 @@ FILTER_MAP = {
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  }
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  TASK_MAP = {
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- 'Compound-protein interaction': 'CPI',
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- 'Compound-protein binding affinity': 'CPA',
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  }
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  PRESET_MAP = {
@@ -1194,10 +1194,10 @@ QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
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  def screen_recommend_model(fasta, family, task):
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  task = TASK_MAP[task]
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- if task == 'CPI':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dti_train.csv')
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  score = 'AUROC'
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- elif task == 'CPA':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dta_train.csv')
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  score = 'CI'
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@@ -1264,10 +1264,10 @@ QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
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  def identify_recommend_model(smiles, task):
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  task = TASK_MAP[task]
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- if task == 'CPI':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dti_train.csv')
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  score = 'AUROC'
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- elif task == 'CPA':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dta_train.csv')
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  score = 'CI'
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  if smiles not in train['X1']:
 
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  }
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  TASK_MAP = {
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+ 'Compound-protein interaction': 'DTI',
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+ 'Compound-protein binding affinity': 'DTA',
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  }
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  PRESET_MAP = {
 
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  def screen_recommend_model(fasta, family, task):
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  task = TASK_MAP[task]
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+ if task == 'DTI':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dti_train.csv')
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  score = 'AUROC'
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+ elif task == 'DTA':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dta_train.csv')
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  score = 'CI'
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  def identify_recommend_model(smiles, task):
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  task = TASK_MAP[task]
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+ if task == 'DTI':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dti_train.csv')
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  score = 'AUROC'
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+ elif task == 'DTA':
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  train = pd.read_csv('data/benchmarks/all_families_reduced_dta_train.csv')
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  score = 'CI'
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  if smiles not in train['X1']: