Upload app.py

app.py

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+# -*- coding: utf-8 -*-
+import streamlit as st
+import pandas as pd
+import rdkit
+import streamlit_ketcher
+from streamlit_ketcher import st_ketcher
+import abcBERT
+import RF
+from streamlit_gsheets import GSheetsConnection
+
+# Page setup
+st.set_page_config(page_title="DeepAcceptor", page_icon="🔋", layout="wide")
+st.title("🔋DeepAcceptor")
+
+# Connect to the Google Sheet
+url1 = r"https://docs.google.com/spreadsheets/d/1YOEIg0nMTSPkAOr8wkqxQRLuUhys3-J0I-KPEpmzPLw/gviz/tq?tqx=out:csv&sheet=accept"
+url = r"https://docs.google.com/spreadsheets/d/1YOEIg0nMTSPkAOr8wkqxQRLuUhys3-J0I-KPEpmzPLw/gviz/tq?tqx=out:csv&sheet=111"
+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["name"].str.contains(text_search)
+	m2 = df1["reference"].str.contains(text_search)
+	df_search = df1[m1 | m2]
+with col2:
+
+	st.link_button("📝**DATABASE**",  r"https://docs.google.com/spreadsheets/d/1YOEIg0nMTSPkAOr8wkqxQRLuUhys3-J0I-KPEpmzPLw")
+	st.caption('👆If you want to update the 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")
+edited_df.to_csv(url)
+st.download_button(
+    "⬇️ Download edited files as .csv", edited_df.to_csv(), "edited_df.csv", use_container_width=True
+)
+
+molecule = st.text_input("📋**Molecule**")
+smile_code = st_ketcher(molecule)
+st.subheader(f"✨**Smiles code**: {smile_code}")
+P = RF.main( str(smile_code ) )
+st.header(f":blue[⚡**PCE predicted by RF**]: {P}")
+
+try:
+    pce = abcBERT.main( str(smile_code ) )
+    st.header(f":blue[⚡**PCE predicted by abcBERT**]: {pce}")
+except:
+    st.header(f":blue[⚡**PCE predicted by abcBERT**]:  :red["Running"]")
+