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app.py
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app.py
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import streamlit as st
from streamlit_lottie import st_lottie
from streamlit_option_menu import option_menu
import io
import json
import requests
import py3Dmol
from stmol import showmol
from rdkit import Chem
from rdkit.Chem import AllChem
page="""
<style>
[data-testid="stAppViewContainer"]{
}
[data-testid="stHeader"]{
background-color: rgba(0,0,0,0);
}
[data-testid="stToolbar"]{
right: 2rem;
}
[data-testid="stMarkdown"]{
color: rgba(255,255,255,0);
}
[data-testid="stSidebar"]> div:first-child{
background-image: url("https://media.istockphoto.com/id/1350643908/photo/orange-paper-top-view-abstract-bright-background-without-texture.jpg?b=1&s=170667a&w=0&k=20&c=aNwk1MWvLMpgShx8nqxqatcUVdVxEi3dSRc9XfmpDa8=");
background-size: cover;
}
</style>
"""
st.markdown(page, unsafe_allow_html=True)
def load_lottiefile(filepath: str):
with open(filepath, "r") as f:
return json.load(f)
#lottie_s=load_lottiefile("suggestion.json")
selected = option_menu(
menu_title=None,
options=["Home","ChemPlay","About Us"],
icons=["home", "joystick", "reply-all-fill"],
menu_icon="cast",
default_index=0,
orientation="horizontal",
)
def side():
with st.sidebar:
st.image("x-mol.png")
st.title("X-Mol - World of Chemistry")
st.write("X-Mol aims to provide the platform to explore the world of chemistry 🌎. It helps to understand the chemical structure in a better manner by interacting with the 3D chemical structure and also the nomenclature from SMILES 😊. The application also focuses on teaching the rules, examples and resources to follow up.")
st.write("To remove the fear of nomenclature of chemical structure and also to draw the structure ⌬. Making Logic clear would help individual solve more complex question. X-Mol also contains the practice problems of various difficuly level 🎚️.")
st.write("""To make student feel competitive, interested and enthusiastic to solve & understand more number of chemical structure by attempting the quiz and scoring in it 💯. The goal is to provide the platform to make the application which makes 'General Organic Chemistry' more strong 🏆.""")
st.header("Features:")
st.write('''
⌬ Platform helps to advocate on Chemical Structure, Molecular Formula, and Nomenclature
🔬 ChemQuiz - To help student to remember the concepts and learn something new about chemical compounds. It also helps to enhance the knowledge to learn something new. Also, the large amount of problems help to skill up!
🧪 Scanning Chemical Structure to Nomenclature and SMILES
''')
st.header("Check out this and do give a ⭐ star on github to [X-Mol](https://github.com/Hrishikesh332/X-Mol)")
if (selected=="Home"):
side()
def mol(smi):
mol = Chem.MolFromSmiles(smi)
mol = Chem.AddHs(mol)
AllChem.EmbedMolecule(mol)
molecule = Chem.MolToMolBlock(mol)
return molecule
def render(m):
mview = py3Dmol.view()
mview.addModel(m,'mol')
mview.setStyle({'stick':{}})
mview.setBackgroundColor('white')
mview.zoom(1, 200)
mview.zoomTo()
showmol(mview,height=400,width=500)
st.markdown("<h1 style='text-align: center; '>X-Mol - Explore Molecular Structure </h1>", unsafe_allow_html=True)
col3, col4 = st.columns(2)
with col3:
st.text("")
st.text("")
st.markdown("")
with col4:
st.subheader("Are you worried about remembering the Nomenclature, SMILES and Structure of Compounds ?")
st.write("Don't worry, Making logic clear will help you out to understand the structure in a more better way, Practicing ✍️ everyday can make you better drawing structure from SMILES")
st.markdown("---")
def iupac(smiles):
rep = "iupac_name"
url = nom.format(smiles, rep)
response = requests.get(url)
response.raise_for_status()
return response.text
col1, col2 = st.columns(2)
with col1:
st.write("Please do enter SMILES (Simplified Molecular-input Line Entry System) in the below Prompt 🧪")
st.caption("Go on and put the SMILES in the prompt to learn about the compound in a fun way with a smile 😊")
smiles=st.text_input("", 'CCO')
nom= st.secrets["api"]
predict = st.button('Draw')
st.text("")
st.text("")
st.write("Nomenclature:")
st.code(iupac(smiles))
with col2:
struct=mol(smiles)
if predict:
render(struct)
st.markdown("---")
st.subheader("Time to learn smiles and get into the world of Molecules 🌎")
st.markdown("---")
st.subheader("Rules 📄")
st.caption("Game can't be played, without Rules:")
st.text('')
st.write('''
1. Each non-hydrogen atom is specified independently by its atomic symbol enclosed in square brackets [ ].
2. Square brackets may be omitted for elements in the “organic subset” (B, C, N, O, P, S, F, Cl, Br, and I) if the proper number of implicit hydrogen atoms ⚛.
3. Explicitly attached hydrogens and formal charges are always specified inside brackets【 】.
''')
col7, col8 = st.columns(2)
with col7:
st.subheader("🔹 Symbols used to represent the bonds:")
st.text("")
st.text("")
st.text("")
st.text("")
st.write(
'''
Single Bond -----> -
Double Bond -----> =
Triple Bond -----> #
Aromatic Bond -----> :
'''
)
with col8:
st.subheader("🔹 Examples")
st.code(
'''
SMILES Name Molecular
CC Ethane (CH3CH3)
C=C Ethene (CH2CH2)
C#C Ethyne (CHCH)
COC Dimethyl ether (CH3OCH3)
CC=O Acetaldehyde (CH3-CH=O)
C#N Hydrogen Cyanide (HCN)
'''
)
st.markdown("---")
st.subheader("I guess 🤔, you're ready now. To make your own smiles")
level = st.selectbox('How much ready are you ? Choose the Diffculty Level 🎚️:',('Easy 😅', 'Intermediate 😃', 'Difficult 💪', 'Extreme Difficult🤓'))
def score(marks):
if marks>1:
st.warning(f'Congratulation 🎉, You scored {marks}/3')
else:
st.warning(f'Do not worry, Go practice more!!! You scored {marks}/3')
if (level=="Easy 😅"):
st.subheader("Write the nomenclature of given SMILES:")
col5, col6 = st.columns(2)
with col5:
st.text("")
st.text("")
st.text("")
st.write("Q1) CC")
st.text("")
st.text("")
st.text("")
st.write("Q2) CC=C")
st.text("")
st.text("")
st.text("")
st.write("Q3) CC(=O)O")
with col6:
marks=0
a=st.text_input("Answer Q1:")
b=st.text_input("Answer Q2:")
c=st.text_input("Answer Q3:")
submit=st.button("Submit")
if submit:
st.balloons()
if (a.lower()=="ethane"):
marks+=1
if (b.lower()=="prop-1-ene"):
marks+=1
if (c.lower()=="ethanoic acid"):
marks+=1
score(marks)
if (level=="Intermediate 😃"):
st.subheader("Write the nomenclature of given structure:")
col5, col6 = st.columns(2)
with col5:
st.write("Q1)")
st.image('q3.jpg')
st.write("Q2)")
st.image('q1.jpg')
st.write("Q3)")
st.image('q2.jpg')
with col6:
marks=0
a=st.text_input("Answer Q1:")
st.text('')
st.text('')
st.text('')
st.text('')
st.text('')
st.text('')
b=st.text_input("Answer Q2:")
st.text('')
st.text('')
st.text('')
st.text('')
st.text('')
st.text('')
b=st.text_input("Answer Q3:")
submit=st.button("Submit")
if submit:
st.balloons()
if (a=="pent-1-ene"):
marks+=1
if (b=="4-methlyhex-1-ene"):
marks+=1
if (c=="2-methylbut-2-ene"):
marks+=1
score(marks)
if (level=="Extreme Difficult🤓"):
st.subheader("Write the nomenclature of given structure:")
col5, col6 = st.columns(2)
with col5:
st.write("Q1)")
st.image('q4.jpg')
with col6:
marks=0
a=st.text_input("Answer Q1:")
submit=st.button("Submit")
if submit:
st.balloons()
if (a=="1-ethenyl-2-hexenylcyclopropane"):
marks+=1
score(marks)
st.markdown("---")
st.subheader("Resources to follow up and learn more 📖")
st.warning("Nomenclature Part 1: (Previous Year MHT-CET)")
st.video('https://www.youtube.com/watch?v=mrHxq0jBRsw&t=1494s')
st.warning("Nomenclature Part 2: (Previous Year MHT-CET)")
st.video('https://www.youtube.com/watch?v=-P9JRYGSno8&t=1125s')