Update app.py
Browse files
app.py
CHANGED
|
@@ -1,3 +1,10 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
import streamlit as st
|
| 2 |
import pandas as pd
|
| 3 |
import rdkit
|
|
@@ -54,8 +61,10 @@ if option =="🎈Acceptor":
|
|
| 54 |
st.subheader("👨🔬**Input the SMILES of Acceptor Molecule**")
|
| 55 |
molecule = st.text_input("👨🔬**Input the SMILES of Acceptor Molecule**", label_visibility="hidden" )
|
| 56 |
acceptor= st_ketcher(molecule )
|
| 57 |
-
|
| 58 |
-
|
|
|
|
|
|
|
| 59 |
|
| 60 |
st.subheader(":black[**🧡Input the SMILES of Donor Molecule**]")
|
| 61 |
donor= st.text_input(":black[**🧡Input the SMILES of Donor Molecule**]", label_visibility="hidden")
|
|
@@ -63,8 +72,8 @@ if option =="🎈Donor":
|
|
| 63 |
st.subheader("👨🔬**Input the SMILES of Donor Molecule**" )
|
| 64 |
do= st.text_input("👨🔬**Input the SMILES of Donor Molecule**" , label_visibility="hidden")
|
| 65 |
donor = st_ketcher(do)
|
| 66 |
-
|
| 67 |
-
|
| 68 |
|
| 69 |
st.subheader(":black[**🧡Input the SMILES of Acceptor Molecule**]")
|
| 70 |
acceptor = st.text_input(":black[**🧡Input the SMILES of Acceptor Molecule**]", label_visibility="hidden")
|
|
|
|
| 1 |
+
# -*- coding: utf-8 -*-
|
| 2 |
+
"""
|
| 3 |
+
Created on Sun Nov 3 08:48:11 2024
|
| 4 |
+
|
| 5 |
+
@author: BM109X32G-10GPU-02
|
| 6 |
+
"""
|
| 7 |
+
|
| 8 |
import streamlit as st
|
| 9 |
import pandas as pd
|
| 10 |
import rdkit
|
|
|
|
| 61 |
st.subheader("👨🔬**Input the SMILES of Acceptor Molecule**")
|
| 62 |
molecule = st.text_input("👨🔬**Input the SMILES of Acceptor Molecule**", label_visibility="hidden" )
|
| 63 |
acceptor= st_ketcher(molecule )
|
| 64 |
+
|
| 65 |
+
st.subheader("💗**PCE prediction**")
|
| 66 |
+
|
| 67 |
+
st.subheader(f"🏆**New SMILES of edited acceptor molecules**: {acceptor}")
|
| 68 |
|
| 69 |
st.subheader(":black[**🧡Input the SMILES of Donor Molecule**]")
|
| 70 |
donor= st.text_input(":black[**🧡Input the SMILES of Donor Molecule**]", label_visibility="hidden")
|
|
|
|
| 72 |
st.subheader("👨🔬**Input the SMILES of Donor Molecule**" )
|
| 73 |
do= st.text_input("👨🔬**Input the SMILES of Donor Molecule**" , label_visibility="hidden")
|
| 74 |
donor = st_ketcher(do)
|
| 75 |
+
st.subheader("💗**PCE prediction**")
|
| 76 |
+
st.subheader(f"🏆**New SMILES of edited donor molecules**: {donor}")
|
| 77 |
|
| 78 |
st.subheader(":black[**🧡Input the SMILES of Acceptor Molecule**]")
|
| 79 |
acceptor = st.text_input(":black[**🧡Input the SMILES of Acceptor Molecule**]", label_visibility="hidden")
|