mgyigit commited on
Commit
1a41819
·
1 Parent(s): 3cce1b1

Update app.py

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Files changed (1) hide show
  1. app.py +9 -9
app.py CHANGED
@@ -14,14 +14,14 @@ import time
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  class DrugGENConfig:
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  # Inference configuration
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  submodel='DrugGEN'
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- inference_model="experiments/models/DrugGEN/"
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  sample_num=100
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  # Data configuration
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- inf_smiles='data/chembl_test.smi'
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- train_smiles='data/chembl_train.smi'
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  inf_batch_size=1
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- mol_data_dir='data'
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  features=False
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  # Model configuration
@@ -42,21 +42,21 @@ class DrugGENConfig:
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  class DrugGENAKT1Config(DrugGENConfig):
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  submodel='DrugGEN'
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- inference_model="experiments/models/DrugGEN-AKT1/"
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- train_drug_smiles='./data/akt1_train.smi'
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  max_atom=45
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  class DrugGENCDK2Config(DrugGENConfig):
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  submodel='DrugGEN'
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- inference_model="experiments/models/DrugGEN-CDK2/"
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- train_drug_smiles='./data/cdk2_train.smi'
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  max_atom=38
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  class NoTargetConfig(DrugGENConfig):
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  submodel="NoTarget"
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- inference_model="experiments/models/NoTarget/"
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  model_configs = {
 
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  class DrugGENConfig:
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  # Inference configuration
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  submodel='DrugGEN'
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+ inference_model="/home/user/app/experiments/models/DrugGEN/"
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  sample_num=100
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  # Data configuration
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+ inf_smiles='/home/user/app/data/chembl_test.smi'
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+ train_smiles='/home/user/app/data/chembl_train.smi'
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  inf_batch_size=1
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+ mol_data_dir='/home/user/app/data'
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  features=False
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  # Model configuration
 
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  class DrugGENAKT1Config(DrugGENConfig):
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  submodel='DrugGEN'
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+ inference_model="/home/user/app/experiments/models/DrugGEN-AKT1/"
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+ train_drug_smiles='/home/user/app/data/akt1_train.smi'
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  max_atom=45
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  class DrugGENCDK2Config(DrugGENConfig):
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  submodel='DrugGEN'
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+ inference_model="/home/user/app/experiments/models/DrugGEN-CDK2/"
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+ train_drug_smiles='/home/user/app//data/cdk2_train.smi'
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  max_atom=38
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  class NoTargetConfig(DrugGENConfig):
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  submodel="NoTarget"
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+ inference_model="/home/user/app/experiments/models/NoTarget/"
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  model_configs = {