Update app.py

app.py

@@ -8,9 +8,57 @@ class DrugGENConfig:
     act='relu'
     z_dim=16
     max_atom=45
-    
-    
+    lambda_gp=1
+    dim=128
+    depth=1
+    heads=8
+    dec_depth=1
+    dec_heads=8
+    dec_dim=128
+    mlp_ratio=3
+    warm_up_steps=0
+    dis_select='mlp'
+    init_type='normal'
+    batch_size=128
+    epoch=50
+    g_lr=0.00001
+    d_lr=0.00001
+    g2_lr=0.00001
+    d2_lr0.00001
+    dropout=0.
+    dec_dropout=0.
+    n_critic=1
+    beta1=0.9
+    beta2=0.999
+    resume_iters=None
+    clipping_value=2
+    features=False
+    test_iters=10_000
+    num_test_epoch=30_000
+    inference_sample_num=1000
+    num_workers=1
+    mode="inference"
+    inference_iterations=100
+    inf_batch_size=1
+    protein_data_dir='DrugGEN/data/akt'
+    drug_index='DrugGEN/data/drug_smiles.index'
+    drug_data_dir='DrugGEN/data/akt'
+    mol_data_dir='DrugGEN/data'
+    log_dir='DrugGEN/experiments/logs'
+    model_save_dir='DrugGEN/experiments/models'
+    inference_model=""
+    sample_dir='DrugGEN/experiments/samples'
+    result_dir="DrugGEN/experiments/tboard_output"
+    dataset_file="chembl45_train.pt"
+    drug_dataset_file="akt_train.pt"
+    raw_file='DrugGEN/data/chembl_train.smi'
+    drug_raw_file="DrugGEN/data/akt_train.smi"
+    inf_dataset_file="chembl45_test.pt"
+    inf_drug_dataset_file='akt_test.pt'
+    inf_raw_file='DrugGEN/data/chembl_test.smi'
+    inf_drug_raw_file="DrugGEN/data/akt_test.smi"
 
+    
 with st.spinner('Setting up the trainer class...'):
     trainer = Trainer(DrugGENConfig())