osbm commited on
Commit
7334270
·
1 Parent(s): d184472

Update app.py

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Files changed (1) hide show
  1. app.py +7 -3
app.py CHANGED
@@ -1,4 +1,6 @@
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  import streamlit as st
 
 
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  from trainer import Trainer
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  import random
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  from rdkit.Chem import Draw
@@ -118,8 +120,9 @@ with st.sidebar:
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- if submitted or ("submitted" in st.session_state):
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- st.session_state["submitted"] = True
 
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  config = model_configs[model_name]
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  config.inference_sample_num = molecule_num_input
@@ -139,7 +142,8 @@ if submitted or ("submitted" in st.session_state):
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  with open(f'experiments/inference/{model_name}/inference_drugs.txt') as f:
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  inference_drugs = f.read()
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- st.download_button(label="Click to download generated molecules", data=inference_drugs, file_name=f'DrugGEN-{model_name}_denovo_mols.smi', mime="text/plain")
 
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  st.write("Structures of randomly selected 12 de novo molecules from the inference set:")
 
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  import streamlit as st
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+ import streamlit_ext as ste
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+
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  from trainer import Trainer
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  import random
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  from rdkit.Chem import Draw
 
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+ if submitted:
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+ # if submitted or ("submitted" in st.session_state):
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+ # st.session_state["submitted"] = True
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  config = model_configs[model_name]
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  config.inference_sample_num = molecule_num_input
 
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  with open(f'experiments/inference/{model_name}/inference_drugs.txt') as f:
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  inference_drugs = f.read()
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+ # st.download_button(label="Click to download generated molecules", data=inference_drugs, file_name=f'DrugGEN-{model_name}_denovo_mols.smi', mime="text/plain")
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+ ste.download_button(label="Click to download generated molecules", data=inference_drugs, file_name=f'DrugGEN-{model_name}_denovo_mols.smi', mime="text/plain")
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  st.write("Structures of randomly selected 12 de novo molecules from the inference set:")