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Update app.py
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app.py
CHANGED
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@@ -347,8 +347,8 @@ FILTER_MAP = {
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}
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TASK_MAP = {
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'Compound-protein interaction': '
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'Compound-protein binding affinity': '
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}
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PRESET_MAP = {
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@@ -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 == '
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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 == '
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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 == '
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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 == '
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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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| 1194 |
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| 1195 |
def screen_recommend_model(fasta, family, task):
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task = TASK_MAP[task]
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| 1197 |
+
if task == 'DTI':
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| 1198 |
train = pd.read_csv('data/benchmarks/all_families_reduced_dti_train.csv')
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| 1199 |
score = 'AUROC'
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| 1200 |
+
elif task == 'DTA':
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| 1201 |
train = pd.read_csv('data/benchmarks/all_families_reduced_dta_train.csv')
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| 1202 |
score = 'CI'
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| 1203 |
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| 1264 |
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| 1265 |
def identify_recommend_model(smiles, task):
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task = TASK_MAP[task]
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| 1267 |
+
if task == 'DTI':
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| 1268 |
train = pd.read_csv('data/benchmarks/all_families_reduced_dti_train.csv')
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| 1269 |
score = 'AUROC'
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| 1270 |
+
elif task == 'DTA':
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| 1271 |
train = pd.read_csv('data/benchmarks/all_families_reduced_dta_train.csv')
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| 1272 |
score = 'CI'
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| 1273 |
if smiles not in train['X1']:
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