Delete app.py

app.py

@@ -1,54 +0,0 @@
-import streamlit as st
-import pandas as pd
-import rdkit
-import streamlit_ketcher
-from streamlit_ketcher import st_ketcher
-import run
-
-# Page setup
-st.set_page_config(page_title="DeepDAP", page_icon="🔋", layout="wide")
-st.title("🔋DeepDAP")
-
-# Connect to the Google Sheet
-
-url1= r"https://docs.google.com/spreadsheets/d/1AKkZS04VF3osFT36aNHIb4iUbV8D1uNfsldcpHXogj0/gviz/tq?tqx=out:csv&sheet=dap"
-df1 = pd.read_csv(url1, dtype=str, encoding='utf-8')
-col1, col2 = st.columns(2)
-with col1:
-	text_search = st.text_input("🔍Search papers or molecules", value="")
-	m1 = df1["Donor_Name"].str.contains(text_search)
-	m2 = df1["reference"].str.contains(text_search)
-	m3 = df1["Acceptor_Name"].str.contains(text_search)
-	df_search = df1[m1 | m2|m3]
-with col2:
-	st.link_button("📝DATABASE",  r"https://docs.google.com/spreadsheets/d/1AKkZS04VF3osFT36aNHIb4iUbV8D1uNfsldcpHXogj0")
-	st.caption('🎉If you want to update the origin database, click the button.')
-if text_search:
-    st.write(df_search)
-    st.download_button( "⬇️Download edited files as .csv", df_search.to_csv(), "df_search.csv", use_container_width=True)
-edited_df = st.data_editor(df1, num_rows="dynamic")
-
-st.download_button(
-    "⬇️ Download edited files as .csv", edited_df.to_csv(), "edited_df.csv", use_container_width=True
-)
-
-option = st.selectbox(
-   "👇Select the type of active layer",
-   ("Donor", "Acceptor"), placeholder="The type of active layer...", index = None
-)
-if option == 'Acceptor':
-
-	molecule = st.text_input("👨‍🔬SMILES of Acceptor Molecule" )
-	acceptor= st_ketcher(molecule )
-	st.markdown(f"🏆New SMILES of edited acceptor molecules: {acceptor}")
-	donor= st.text_input("📋SMILES of  Donor Molecule")
-if option =='Donor':
-	do= st.text_input("👨‍🔬SMILES of Donor Molecule" )
-	donor = st_ketcher(do)
-	st.markdown(f"🏆New SMILES of edited donor molecules: {donor}")
-	acceptor = st.text_input("📋SMILES of  Acceptor Molecule")
-try:
-    pce = run.smiles_aas_test( str(acceptor ), str(donor) )
-    st.markdown(f"⚡PCE: ``{pce}``")
-except:
-    st.markdown(f"⚡PCE:  None  ")