Update app.py

app.py

@@ -1,5 +1,6 @@
 import streamlit as st
 from trainer import Trainer
+import random
 
 class DrugGENConfig:
     submodel='CrossLoss'
@@ -56,7 +57,7 @@ class DrugGENConfig:
     inf_raw_file='data/chembl_test.smi'
     inf_drug_raw_file="data/akt_test.smi"
     log_sample_step=1000
-    set_seed=False
+    set_seed=True
     seed=1
     resume=False
     resume_epoch=None
@@ -94,8 +95,10 @@ with st.sidebar:
         "Select a model to make inference",
         ('Prot', 'CrossLoss', 'NoTarget'))
 
-        molecule_num = st.number_input('Number of molecules to generate', min_value=1, max_value=100_000, value=1000, step=1)
+        molecule_num_input = st.number_input('Number of molecules to generate', min_value=1, max_value=100_000, value=1000, step=1)
 
+        seed_input = st.number_input("Input a seed for reproducibiliy", min_value=0, value=random.randint(1, 1000), step=1)
+        
         submitted = st.form_submit_button("Start Computing")
 
 
@@ -103,7 +106,8 @@ if submitted:
 
     config = model_configs[model_name]
 
-    config.inference_sample_num = molecule_num
+    config.inference_sample_num = molecule_num_input
+    config.seed = seed_input
     
     with st.spinner(f'Creating the trainer class instance for {model_name}...'):
         trainer = Trainer(config)