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Update app.py
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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
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@@ -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='
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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='
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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 = {
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