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Create app.py
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app.py
ADDED
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| 1 |
+
from groq import Groq
|
| 2 |
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import streamlit as st
|
| 3 |
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from openai import OpenAI
|
| 4 |
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import json
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| 5 |
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import streamlit.components.v1 as components
|
| 6 |
+
import requests
|
| 7 |
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from youtube_transcript_api import YouTubeTranscriptApi
|
| 8 |
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from youtubesearchpython import VideosSearch
|
| 9 |
+
from rdkit import Chem
|
| 10 |
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from rdkit.Chem import Draw, AllChem
|
| 11 |
+
import os
|
| 12 |
+
import queue
|
| 13 |
+
import re
|
| 14 |
+
import tempfile
|
| 15 |
+
import threading
|
| 16 |
+
import requests
|
| 17 |
+
from bs4 import BeautifulSoup
|
| 18 |
+
from embedchain import App
|
| 19 |
+
from embedchain.config import BaseLlmConfig
|
| 20 |
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from embedchain.helpers.callbacks import (StreamingStdOutCallbackHandlerYield,
|
| 21 |
+
generate)
|
| 22 |
+
|
| 23 |
+
client_groq = Groq(api_key="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")
|
| 24 |
+
client_openai = OpenAI(api_key="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")
|
| 25 |
+
|
| 26 |
+
link_custom_functions = [
|
| 27 |
+
{
|
| 28 |
+
'name': 'extract_website_url',
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| 29 |
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'description': 'Get the website url',
|
| 30 |
+
'parameters': {
|
| 31 |
+
'type': 'object',
|
| 32 |
+
'properties': {
|
| 33 |
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'link': {'type': 'string', 'description': 'website url'},
|
| 34 |
+
}
|
| 35 |
+
}
|
| 36 |
+
}
|
| 37 |
+
]
|
| 38 |
+
|
| 39 |
+
def embedchain_bot(db_path, api_key):
|
| 40 |
+
return App.from_config(
|
| 41 |
+
config={
|
| 42 |
+
"llm": {
|
| 43 |
+
"provider": "openai",
|
| 44 |
+
"config": {
|
| 45 |
+
"model": "gpt-3.5-turbo-1106",
|
| 46 |
+
"temperature": 0.5,
|
| 47 |
+
"max_tokens": 1000,
|
| 48 |
+
"top_p": 1,
|
| 49 |
+
"stream": True,
|
| 50 |
+
"api_key": api_key,
|
| 51 |
+
},
|
| 52 |
+
},
|
| 53 |
+
"vectordb": {
|
| 54 |
+
"provider": "chroma",
|
| 55 |
+
"config": {"collection_name": "chat-pdf", "dir": db_path, "allow_reset": True},
|
| 56 |
+
},
|
| 57 |
+
"embedder": {"provider": "openai", "config": {"api_key": api_key}},
|
| 58 |
+
"chunker": {"chunk_size": 2000, "chunk_overlap": 0, "length_function": "len"},
|
| 59 |
+
}
|
| 60 |
+
)
|
| 61 |
+
|
| 62 |
+
|
| 63 |
+
def get_db_path():
|
| 64 |
+
tmpdirname = tempfile.mkdtemp()
|
| 65 |
+
return tmpdirname
|
| 66 |
+
|
| 67 |
+
|
| 68 |
+
def get_ec_app(api_key):
|
| 69 |
+
if "app" in st.session_state:
|
| 70 |
+
print("Found app in session state")
|
| 71 |
+
app = st.session_state.app
|
| 72 |
+
else:
|
| 73 |
+
print("Creating app")
|
| 74 |
+
db_path = get_db_path()
|
| 75 |
+
app = embedchain_bot(db_path, api_key)
|
| 76 |
+
st.session_state.app = app
|
| 77 |
+
return app
|
| 78 |
+
|
| 79 |
+
# Initialize your clients with API keys
|
| 80 |
+
client_openai = OpenAI(api_key="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")
|
| 81 |
+
client_groq = Groq(api_key="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")
|
| 82 |
+
client_groq_one = Groq(api_key="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")
|
| 83 |
+
|
| 84 |
+
# Define your custom functions for OpenAI
|
| 85 |
+
scenario_custom_functions = [
|
| 86 |
+
{
|
| 87 |
+
'name': 'extract_scenario_info',
|
| 88 |
+
'description': 'Get the individual scenarios text',
|
| 89 |
+
'parameters': {
|
| 90 |
+
'type': 'object',
|
| 91 |
+
'properties': {
|
| 92 |
+
'scenario_1': {'type': 'string', 'description': 'scenario number 1 full text'},
|
| 93 |
+
'scenario_2': {'type': 'string', 'description': 'scenario number 2 full text'},
|
| 94 |
+
'scenario_3': {'type': 'string', 'description': 'scenario number 3 full text'},
|
| 95 |
+
'scenario_4': {'type': 'string', 'description': 'scenario number 4 full text'},
|
| 96 |
+
}
|
| 97 |
+
}
|
| 98 |
+
}
|
| 99 |
+
]
|
| 100 |
+
|
| 101 |
+
scenario_keyword_functions = [
|
| 102 |
+
{
|
| 103 |
+
'name': 'extract_scenario_info',
|
| 104 |
+
'description': 'Get the individual scenarios text',
|
| 105 |
+
'parameters': {
|
| 106 |
+
'type': 'object',
|
| 107 |
+
'properties': {
|
| 108 |
+
'keyword_1': {'type': 'string', 'description': 'keyword 1'},
|
| 109 |
+
'keyword_2': {'type': 'string', 'description': 'keyword 2'},
|
| 110 |
+
'keyword_3': {'type': 'string', 'description': 'keyword 3'},
|
| 111 |
+
'keyword_4': {'type': 'string', 'description': 'keyword 4'},
|
| 112 |
+
}
|
| 113 |
+
}
|
| 114 |
+
}
|
| 115 |
+
]
|
| 116 |
+
|
| 117 |
+
video_custom_functions = [
|
| 118 |
+
{
|
| 119 |
+
'name': 'extract_video_id',
|
| 120 |
+
'description': 'Get the video ID',
|
| 121 |
+
'parameters': {
|
| 122 |
+
'type': 'object',
|
| 123 |
+
'properties': {
|
| 124 |
+
'video_id': {'type': 'string', 'description': 'video ID'},
|
| 125 |
+
}
|
| 126 |
+
}
|
| 127 |
+
}
|
| 128 |
+
]
|
| 129 |
+
# Initialize a string to store all transcripts
|
| 130 |
+
all_video_transcripts = ""
|
| 131 |
+
|
| 132 |
+
molecule_custom_functions = [
|
| 133 |
+
{
|
| 134 |
+
'name': 'extract_molecule_info',
|
| 135 |
+
'description': 'Get the molecule name',
|
| 136 |
+
'parameters': {
|
| 137 |
+
'type': 'object',
|
| 138 |
+
'properties': {
|
| 139 |
+
'molecule_name': {'type': 'string', 'description': 'name of the molecule'},
|
| 140 |
+
}
|
| 141 |
+
}
|
| 142 |
+
}
|
| 143 |
+
]
|
| 144 |
+
|
| 145 |
+
keyword_custom_functions = [
|
| 146 |
+
{
|
| 147 |
+
'name': 'extract_keyword_info',
|
| 148 |
+
'description': 'Get the search query keyword',
|
| 149 |
+
'parameters': {
|
| 150 |
+
'type': 'object',
|
| 151 |
+
'properties': {
|
| 152 |
+
'keyword': {'type': 'string', 'description': 'keyword of teh search query'},
|
| 153 |
+
}
|
| 154 |
+
}
|
| 155 |
+
}
|
| 156 |
+
]
|
| 157 |
+
|
| 158 |
+
# Example SMILES strings for each component - replace these with the actual values retrieved from your API calls
|
| 159 |
+
reactant_1_smiles = 'your_reactant_1_smiles_here'
|
| 160 |
+
reactant_2_smiles = 'your_reactant_2_smiles_here' # This might be an empty string if not present
|
| 161 |
+
reagent_3_smiles = 'your_reagent_3_smiles_here'
|
| 162 |
+
product_4_smiles = 'your_product_4_smiles_here'
|
| 163 |
+
product_5_smiles = 'your_product_5_smiles_here'
|
| 164 |
+
molecule_custom_functions_reaction = [
|
| 165 |
+
{
|
| 166 |
+
'name': 'extract_molecules_info',
|
| 167 |
+
'description': 'Get the name of the individual molecules',
|
| 168 |
+
'parameters': {
|
| 169 |
+
'type': 'object',
|
| 170 |
+
'properties': {
|
| 171 |
+
'reactant_1': {'type': 'string', 'description': 'reactant number 1 '},
|
| 172 |
+
'reactant_2': {'type': 'string', 'description': 'reactant number 2 '},
|
| 173 |
+
'reagent_3': {'type': 'string', 'description': 'reagent number 1 '},
|
| 174 |
+
'product_4': {'type': 'string', 'description': 'product number 1'},
|
| 175 |
+
'product_5': {'type': 'string', 'description': 'product number 2'},
|
| 176 |
+
}
|
| 177 |
+
}
|
| 178 |
+
}
|
| 179 |
+
]
|
| 180 |
+
|
| 181 |
+
# Streamlit UI
|
| 182 |
+
st.title("Stereo World 🌍")
|
| 183 |
+
image_variable = None
|
| 184 |
+
# Session states initialization
|
| 185 |
+
if 'prompt' not in st.session_state:
|
| 186 |
+
st.session_state.prompt = ''
|
| 187 |
+
if 'selected_options' not in st.session_state:
|
| 188 |
+
st.session_state.selected_options = []
|
| 189 |
+
if 'selected_options_reaction' not in st.session_state:
|
| 190 |
+
st.session_state.selected_options_reaction = []
|
| 191 |
+
|
| 192 |
+
|
| 193 |
+
# User inputs
|
| 194 |
+
st.session_state.prompt = st.text_input("Enter your prompt")
|
| 195 |
+
st.session_state.selected_options = st.multiselect("Select options", ["fun based", "context based", "real world based", "conceptual textbook based"])
|
| 196 |
+
check_box = st.checkbox("Open Chem Sketcher")
|
| 197 |
+
with st.sidebar:
|
| 198 |
+
st.sidebar.title("Chat with the assistant 🤖")
|
| 199 |
+
# Input for search query
|
| 200 |
+
search_query = st.sidebar.text_input("Enter your video search query")
|
| 201 |
+
reaction_query = st.sidebar.text_input("Enter your reaction search query")
|
| 202 |
+
name_reaction = st.checkbox("I am searching a name reaction")
|
| 203 |
+
if name_reaction:
|
| 204 |
+
with st.sidebar:
|
| 205 |
+
#openai_access_token = st.text_input("OpenAI API Key", key="api_key", type="password")
|
| 206 |
+
api_key = "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"
|
| 207 |
+
|
| 208 |
+
|
| 209 |
+
#if st.session_state.api_key:
|
| 210 |
+
app = get_ec_app(api_key)
|
| 211 |
+
|
| 212 |
+
pdf_files = st.file_uploader("Upload your PDF files", accept_multiple_files=True, type="pdf")
|
| 213 |
+
add_pdf_files = st.session_state.get("add_pdf_files", [])
|
| 214 |
+
for pdf_file in pdf_files:
|
| 215 |
+
file_name = pdf_file.name
|
| 216 |
+
if file_name in add_pdf_files:
|
| 217 |
+
continue
|
| 218 |
+
try:
|
| 219 |
+
temp_file_name = None
|
| 220 |
+
with tempfile.NamedTemporaryFile(mode="wb", delete=False, prefix=file_name, suffix=".pdf") as f:
|
| 221 |
+
f.write(pdf_file.getvalue())
|
| 222 |
+
temp_file_name = f.name
|
| 223 |
+
if temp_file_name:
|
| 224 |
+
st.markdown(f"Adding {file_name} to knowledge base...")
|
| 225 |
+
app.add(temp_file_name, data_type="pdf_file")
|
| 226 |
+
st.markdown("")
|
| 227 |
+
add_pdf_files.append(file_name)
|
| 228 |
+
os.remove(temp_file_name)
|
| 229 |
+
st.session_state.messages.append({"role": "assistant", "content": f"Added {file_name} to knowledge base!"})
|
| 230 |
+
except Exception as e:
|
| 231 |
+
st.error(f"Error adding {file_name} to knowledge base: {e}")
|
| 232 |
+
st.stop()
|
| 233 |
+
st.session_state["add_pdf_files"] = add_pdf_files
|
| 234 |
+
|
| 235 |
+
if "messages" not in st.session_state:
|
| 236 |
+
st.session_state.messages = []
|
| 237 |
+
|
| 238 |
+
for message in st.session_state.messages:
|
| 239 |
+
with st.chat_message(message["role"]):
|
| 240 |
+
st.markdown(message["content"])
|
| 241 |
+
|
| 242 |
+
if prompt := st.chat_input("Ask me anything!"):
|
| 243 |
+
app = get_ec_app(api_key)
|
| 244 |
+
|
| 245 |
+
with st.chat_message("user"):
|
| 246 |
+
st.session_state.messages.append({"role": "user", "content": prompt})
|
| 247 |
+
st.markdown(prompt)
|
| 248 |
+
|
| 249 |
+
with st.chat_message("assistant"):
|
| 250 |
+
msg_placeholder = st.empty()
|
| 251 |
+
#msg_placeholder.markdown("Thinking...")
|
| 252 |
+
full_response = ""
|
| 253 |
+
|
| 254 |
+
q = queue.Queue()
|
| 255 |
+
|
| 256 |
+
def app_response(result):
|
| 257 |
+
llm_config = app.llm.config.as_dict()
|
| 258 |
+
llm_config["callbacks"] = [StreamingStdOutCallbackHandlerYield(q=q)]
|
| 259 |
+
config = BaseLlmConfig(**llm_config)
|
| 260 |
+
answer, citations = app.chat(prompt, config=config, citations=True)
|
| 261 |
+
result["answer"] = answer
|
| 262 |
+
result["citations"] = citations
|
| 263 |
+
|
| 264 |
+
results = {}
|
| 265 |
+
thread = threading.Thread(target=app_response, args=(results,))
|
| 266 |
+
thread.start()
|
| 267 |
+
|
| 268 |
+
for answer_chunk in generate(q):
|
| 269 |
+
full_response += answer_chunk
|
| 270 |
+
msg_placeholder.markdown(full_response)
|
| 271 |
+
|
| 272 |
+
thread.join()
|
| 273 |
+
# answer, citations = results["answer"], results["citations"]
|
| 274 |
+
# if citations:
|
| 275 |
+
# full_response += "\n\n**Sources**:\n"
|
| 276 |
+
# sources = []
|
| 277 |
+
# for i, citation in enumerate(citations):
|
| 278 |
+
# source = citation[1]["url"]
|
| 279 |
+
# pattern = re.compile(r"([^/]+)\.[^\.]+\.pdf$")
|
| 280 |
+
# match = pattern.search(source)
|
| 281 |
+
# if match:
|
| 282 |
+
# source = match.group(1) + ".pdf"
|
| 283 |
+
# sources.append(source)
|
| 284 |
+
# sources = list(set(sources))
|
| 285 |
+
# for source in sources:
|
| 286 |
+
# full_response += f"- {source}\n"
|
| 287 |
+
|
| 288 |
+
msg_placeholder.markdown(full_response)
|
| 289 |
+
print("Answer: ", full_response)
|
| 290 |
+
st.session_state.messages.append({"role": "assistant", "content": full_response})
|
| 291 |
+
if full_response:
|
| 292 |
+
response_functions = client_openai.chat.completions.create(
|
| 293 |
+
model="gpt-3.5-turbo",
|
| 294 |
+
messages=[{'role': 'user', 'content': full_response}],
|
| 295 |
+
functions=link_custom_functions,
|
| 296 |
+
function_call='auto'
|
| 297 |
+
)
|
| 298 |
+
data = json.loads(response_functions.choices[0].message.function_call.arguments)
|
| 299 |
+
website_url = data['link']
|
| 300 |
+
# Check if the link starts with 'en.wiki'
|
| 301 |
+
request = requests.get(f"https://{website_url}")
|
| 302 |
+
if request.status_code == 200:
|
| 303 |
+
# Parse the content of the request with BeautifulSoup
|
| 304 |
+
soup = BeautifulSoup(request.text, 'html.parser')
|
| 305 |
+
|
| 306 |
+
# Extract all text from the webpage
|
| 307 |
+
text = soup.get_text(separator=' ', strip=True)
|
| 308 |
+
|
| 309 |
+
# Print the extracted text
|
| 310 |
+
data_websute = text
|
| 311 |
+
chat_completion = client_groq.chat.completions.create(
|
| 312 |
+
messages=[
|
| 313 |
+
{
|
| 314 |
+
"role": "user",
|
| 315 |
+
"content": "please give complete step by step reaction along with the complete name of the molecules for the reaction, the requested reaction is : " + data_websute,
|
| 316 |
+
}
|
| 317 |
+
],
|
| 318 |
+
model="mixtral-8x7b-32768",
|
| 319 |
+
)
|
| 320 |
+
reaction = chat_completion.choices[0].message.content
|
| 321 |
+
response_functions = client_openai.chat.completions.create(
|
| 322 |
+
model="gpt-3.5-turbo",
|
| 323 |
+
messages=[{'role': 'user', 'content': reaction}],
|
| 324 |
+
functions=molecule_custom_functions_reaction,
|
| 325 |
+
function_call='auto'
|
| 326 |
+
)
|
| 327 |
+
data = json.loads(response_functions.choices[0].message.function_call.arguments)
|
| 328 |
+
reactant_1 = data.get('reactant_1', '')
|
| 329 |
+
reactant_2 = data.get('reactant_2', '')
|
| 330 |
+
reagent_3 = data.get('reagent_3', '')
|
| 331 |
+
product_4 = data.get('product_4', '')
|
| 332 |
+
product_5 = data.get('product_5', '')
|
| 333 |
+
|
| 334 |
+
reactant_1_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_1}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_1}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 335 |
+
reactant_2_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_2}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_2}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 336 |
+
reagent_3_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reagent_3}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reagent_3}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 337 |
+
product_4_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_4}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_4}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 338 |
+
product_5_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_5}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_5}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 339 |
+
|
| 340 |
+
#st.write("Reactant 1: ", reactant_1_smiles)
|
| 341 |
+
#st.write("Reactant 2: ", reactant_2_smiles)
|
| 342 |
+
#st.write("Reagent 3: ", reagent_3_smiles)
|
| 343 |
+
#st.write("Product 4: ", product_4_smiles)
|
| 344 |
+
#st.write("Product 5: ", product_5_smiles)
|
| 345 |
+
# Building the reaction SMILES string dynamically based on available components
|
| 346 |
+
# Building the reaction SMILES string
|
| 347 |
+
reaction_components = []
|
| 348 |
+
|
| 349 |
+
# Adding reactants
|
| 350 |
+
reactants = [reactant for reactant in [reactant_1_smiles, reactant_2_smiles] if reactant]
|
| 351 |
+
if reactants:
|
| 352 |
+
reaction_components.append('.'.join(reactants))
|
| 353 |
+
else:
|
| 354 |
+
reaction_components.append('')
|
| 355 |
+
|
| 356 |
+
# Adding reagents
|
| 357 |
+
reagents = [reagent for reagent in [reagent_3_smiles] if reagent]
|
| 358 |
+
if reagents:
|
| 359 |
+
reaction_components.append('.'.join(reagents))
|
| 360 |
+
else:
|
| 361 |
+
reaction_components.append('')
|
| 362 |
+
|
| 363 |
+
# Adding products
|
| 364 |
+
products = [product for product in [product_4_smiles, product_5_smiles] if product]
|
| 365 |
+
if products:
|
| 366 |
+
reaction_components.append('.'.join(products))
|
| 367 |
+
else:
|
| 368 |
+
reaction_components.append('')
|
| 369 |
+
|
| 370 |
+
reaction_smiles = '>'.join(reaction_components)
|
| 371 |
+
try:
|
| 372 |
+
# Generate the reaction from SMILES
|
| 373 |
+
rxn = AllChem.ReactionFromSmarts(reaction_smiles, useSmiles=True)
|
| 374 |
+
|
| 375 |
+
# Draw the reaction
|
| 376 |
+
d2d = Draw.MolDraw2DCairo(800, 300) # Adjust size as needed
|
| 377 |
+
d2d.DrawReaction(rxn)
|
| 378 |
+
png = d2d.GetDrawingText()
|
| 379 |
+
|
| 380 |
+
# Save the drawing to a file
|
| 381 |
+
with open('reaction_image.png', 'wb+') as f:
|
| 382 |
+
f.write(png)
|
| 383 |
+
image_variable = png
|
| 384 |
+
#st.image('reaction_image.png')
|
| 385 |
+
|
| 386 |
+
except Exception as e:
|
| 387 |
+
st.write(f"An error occurred: {e}")
|
| 388 |
+
else:
|
| 389 |
+
st.write("Sorry, the website is not available.")
|
| 390 |
+
|
| 391 |
+
|
| 392 |
+
|
| 393 |
+
if reaction_query:
|
| 394 |
+
chat_completion = client_groq.chat.completions.create(
|
| 395 |
+
messages=[
|
| 396 |
+
{
|
| 397 |
+
"role": "user",
|
| 398 |
+
"content": "please give complete step by step reaction along with the complete name of the molecules for the reaction, the requested reaction is : " + reaction_query,
|
| 399 |
+
}
|
| 400 |
+
],
|
| 401 |
+
model="mixtral-8x7b-32768",
|
| 402 |
+
)
|
| 403 |
+
reaction = chat_completion.choices[0].message.content
|
| 404 |
+
response_functions = client_openai.chat.completions.create(
|
| 405 |
+
model="gpt-3.5-turbo",
|
| 406 |
+
messages=[{'role': 'user', 'content': reaction}],
|
| 407 |
+
functions=molecule_custom_functions_reaction,
|
| 408 |
+
function_call='auto'
|
| 409 |
+
)
|
| 410 |
+
data = json.loads(response_functions.choices[0].message.function_call.arguments)
|
| 411 |
+
reactant_1 = data.get('reactant_1', '')
|
| 412 |
+
reactant_2 = data.get('reactant_2', '')
|
| 413 |
+
reagent_3 = data.get('reagent_3', '')
|
| 414 |
+
product_4 = data.get('product_4', '')
|
| 415 |
+
product_5 = data.get('product_5', '')
|
| 416 |
+
|
| 417 |
+
reactant_1_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_1}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_1}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 418 |
+
reactant_2_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_2}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reactant_2}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 419 |
+
reagent_3_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reagent_3}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{reagent_3}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 420 |
+
product_4_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_4}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_4}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 421 |
+
product_5_smiles = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_5}/property/CanonicalSMILES/TXT").text if requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{product_5}/property/CanonicalSMILES/TXT").status_code == 200 else ''
|
| 422 |
+
|
| 423 |
+
#st.write("Reactant 1: ", reactant_1_smiles)
|
| 424 |
+
#st.write("Reactant 2: ", reactant_2_smiles)
|
| 425 |
+
#st.write("Reagent 3: ", reagent_3_smiles)
|
| 426 |
+
#st.write("Product 4: ", product_4_smiles)
|
| 427 |
+
#st.write("Product 5: ", product_5_smiles)
|
| 428 |
+
# Building the reaction SMILES string dynamically based on available components
|
| 429 |
+
# Building the reaction SMILES string
|
| 430 |
+
reaction_components = []
|
| 431 |
+
|
| 432 |
+
# Adding reactants
|
| 433 |
+
reactants = [reactant for reactant in [reactant_1_smiles, reactant_2_smiles] if reactant]
|
| 434 |
+
if reactants:
|
| 435 |
+
reaction_components.append('.'.join(reactants))
|
| 436 |
+
else:
|
| 437 |
+
reaction_components.append('')
|
| 438 |
+
|
| 439 |
+
# Adding reagents
|
| 440 |
+
reagents = [reagent for reagent in [reagent_3_smiles] if reagent]
|
| 441 |
+
if reagents:
|
| 442 |
+
reaction_components.append('.'.join(reagents))
|
| 443 |
+
else:
|
| 444 |
+
reaction_components.append('')
|
| 445 |
+
|
| 446 |
+
# Adding products
|
| 447 |
+
products = [product for product in [product_4_smiles, product_5_smiles] if product]
|
| 448 |
+
if products:
|
| 449 |
+
reaction_components.append('.'.join(products))
|
| 450 |
+
else:
|
| 451 |
+
reaction_components.append('')
|
| 452 |
+
|
| 453 |
+
reaction_smiles = '>'.join(reaction_components)
|
| 454 |
+
try:
|
| 455 |
+
# Generate the reaction from SMILES
|
| 456 |
+
rxn = AllChem.ReactionFromSmarts(reaction_smiles, useSmiles=True)
|
| 457 |
+
|
| 458 |
+
# Draw the reaction
|
| 459 |
+
d2d = Draw.MolDraw2DCairo(800, 300) # Adjust size as needed
|
| 460 |
+
d2d.DrawReaction(rxn)
|
| 461 |
+
png = d2d.GetDrawingText()
|
| 462 |
+
|
| 463 |
+
# Save the drawing to a file
|
| 464 |
+
with open('reaction_image.png', 'wb+') as f:
|
| 465 |
+
f.write(png)
|
| 466 |
+
image_variable = png
|
| 467 |
+
#st.image('reaction_image.png')
|
| 468 |
+
|
| 469 |
+
|
| 470 |
+
except Exception as e:
|
| 471 |
+
st.write(f"An error occurred: {e}")
|
| 472 |
+
if search_query:
|
| 473 |
+
video_search = client_groq.chat.completions.create(
|
| 474 |
+
messages=[
|
| 475 |
+
{
|
| 476 |
+
"role": "user",
|
| 477 |
+
"content": "please correct the spelling and write teh precise one search keyword for and only give teh keyword, only 1 and nothing else other that that :" + search_query,
|
| 478 |
+
}
|
| 479 |
+
],
|
| 480 |
+
model="mixtral-8x7b-32768",
|
| 481 |
+
)
|
| 482 |
+
search_query = video_search.choices[0].message.content
|
| 483 |
+
response_functions = client_openai.chat.completions.create(
|
| 484 |
+
model="gpt-3.5-turbo",
|
| 485 |
+
messages=[{'role': 'user', 'content': search_query}],
|
| 486 |
+
functions=keyword_custom_functions,
|
| 487 |
+
function_call='auto'
|
| 488 |
+
)
|
| 489 |
+
data = json.loads(response_functions.choices[0].message.function_call.arguments)
|
| 490 |
+
keyword = data['keyword']
|
| 491 |
+
st.sidebar.write(keyword)
|
| 492 |
+
# Perform the search
|
| 493 |
+
videosSearch = VideosSearch(search_query, limit=3)
|
| 494 |
+
video_one = VideosSearch(search_query, limit=1)
|
| 495 |
+
for video in video_one.result()['result']:
|
| 496 |
+
video_one_id = video['id']
|
| 497 |
+
|
| 498 |
+
for video in videosSearch.result()['result']:
|
| 499 |
+
video_id = video['id'] # Extract video ID
|
| 500 |
+
|
| 501 |
+
# Display the video thumbnail
|
| 502 |
+
#st.image(video['thumbnails'][0]['url'])
|
| 503 |
+
|
| 504 |
+
# Display the video title
|
| 505 |
+
#st.write(f"**{video['title']}**")
|
| 506 |
+
|
| 507 |
+
try:
|
| 508 |
+
# Fetch the transcript for the video ID
|
| 509 |
+
transcript_list = YouTubeTranscriptApi.get_transcript(video_id, languages=['en'])
|
| 510 |
+
|
| 511 |
+
# Concatenating all text from the transcript
|
| 512 |
+
transcript_text = "\n".join([t['text'] for t in transcript_list])
|
| 513 |
+
|
| 514 |
+
# Concatenate the transcript to the all_video_transcripts variable
|
| 515 |
+
all_video_transcripts += f"\n---\nTranscript for Video ID {video_id}:\n{transcript_text}\n---\n"
|
| 516 |
+
|
| 517 |
+
except Exception as e:
|
| 518 |
+
error_message = "Transcript not available or error in fetching transcript."
|
| 519 |
+
# Concatenate the error message to the all_video_transcripts variable
|
| 520 |
+
all_video_transcripts += f"\n---\nTranscript for Video ID {video_id}:\n{error_message}\n---\n"
|
| 521 |
+
|
| 522 |
+
# At this point, all_video_transcripts contains transcripts for all videos concatenated as a single string.
|
| 523 |
+
# You can display it or process it as needed.
|
| 524 |
+
# Here's an example of displaying the combined transcripts:
|
| 525 |
+
video_id = ""
|
| 526 |
+
if all_video_transcripts:
|
| 527 |
+
#st.text_area("All Video Transcripts", all_video_transcripts, height=300)
|
| 528 |
+
video_compression = client_groq_one.chat.completions.create(
|
| 529 |
+
messages=[
|
| 530 |
+
{
|
| 531 |
+
"role": "user",
|
| 532 |
+
"content": "write a one sentence summary for the the given videos and always preserve and give me the vido_id always " + all_video_transcripts,
|
| 533 |
+
}
|
| 534 |
+
],
|
| 535 |
+
model="mixtral-8x7b-32768",
|
| 536 |
+
)
|
| 537 |
+
compressed_transcripts = video_compression.choices[0].message.content
|
| 538 |
+
|
| 539 |
+
chat_completion = client_groq.chat.completions.create(
|
| 540 |
+
messages=[
|
| 541 |
+
{
|
| 542 |
+
"role": "user",
|
| 543 |
+
"content": "give me the best video with maximum content and the best keywords from the transcript and always preserve and give me teh vido_id always " + compressed_transcripts,
|
| 544 |
+
}
|
| 545 |
+
],
|
| 546 |
+
model="mixtral-8x7b-32768",
|
| 547 |
+
)
|
| 548 |
+
#st.write(chat_completion.choices[0].message.content)
|
| 549 |
+
video_id_fetch = chat_completion.choices[0].message.content
|
| 550 |
+
#st.write(video_id_fetch)
|
| 551 |
+
response_functions = client_openai.chat.completions.create(
|
| 552 |
+
model="gpt-3.5-turbo",
|
| 553 |
+
messages=[{'role': 'user', 'content': video_id_fetch}],
|
| 554 |
+
functions=video_custom_functions,
|
| 555 |
+
function_call='auto'
|
| 556 |
+
)
|
| 557 |
+
data = json.loads(response_functions.choices[0].message.function_call.arguments)
|
| 558 |
+
video_id = data['video_id']
|
| 559 |
+
st.video(f"https://www.youtube.com/watch?v={video_id}")
|
| 560 |
+
|
| 561 |
+
messages = st.container(height=630)
|
| 562 |
+
if image_variable:
|
| 563 |
+
messages.chat_message("assistant").write(f"When you react {reactant_1} with {reactant_2} using {reagent_3}, you get {product_4} and {product_5}" + " here is the reaction in 2D bond representation:")
|
| 564 |
+
messages.image(image_variable)
|
| 565 |
+
if check_box:
|
| 566 |
+
messages.chat_message("assistant").write("Here is the Chem Sketcher for you to draw the molecule:")
|
| 567 |
+
with messages.chat_message("assistant"):
|
| 568 |
+
components.iframe("https://marvinjs.chemicalize.com/v1/fcc0cc8570204c48a6447859c71cf611/editor.html?frameId=2cd5fd97-f496-4b6f-8cbc-417acc66684f&origin=https%3A%2F%2Fwww.rcsb.org", height=600)
|
| 569 |
+
prompt_sidebar = st.chat_input("Say something")
|
| 570 |
+
if prompt_sidebar:
|
| 571 |
+
messages.chat_message("user").write(prompt_sidebar)
|
| 572 |
+
sidebar_chat = client_groq.chat.completions.create(
|
| 573 |
+
messages=[
|
| 574 |
+
{"role": "user", "content": prompt_sidebar},
|
| 575 |
+
],
|
| 576 |
+
model="mixtral-8x7b-32768",
|
| 577 |
+
)
|
| 578 |
+
response_functions = client_openai.chat.completions.create(
|
| 579 |
+
model="gpt-3.5-turbo",
|
| 580 |
+
messages=[{'role': 'user', 'content': prompt_sidebar}],
|
| 581 |
+
functions=molecule_custom_functions,
|
| 582 |
+
function_call='auto'
|
| 583 |
+
)
|
| 584 |
+
data = json.loads(response_functions.choices[0].message.function_call.arguments)
|
| 585 |
+
molecule_name = data['molecule_name']
|
| 586 |
+
if molecule_name:
|
| 587 |
+
response = requests.get(f"https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/{molecule_name}/cids/TXT")
|
| 588 |
+
cid = response.text
|
| 589 |
+
with messages.chat_message("assistant"):
|
| 590 |
+
st.write(f"Here is the molecule {molecule_name} in 3D you can interact with it too 😉:")
|
| 591 |
+
components.iframe(f"https://embed.molview.org/v1/?mode=balls&cid={cid}")
|
| 592 |
+
messages.chat_message("assistant").write(sidebar_chat.choices[0].message.content)
|
| 593 |
+
|
| 594 |
+
if st.session_state.prompt:
|
| 595 |
+
prompt = st.session_state.prompt
|
| 596 |
+
selected_options = " ".join(st.session_state.selected_options)
|
| 597 |
+
messages = [
|
| 598 |
+
{"role": "user", "content": f"create a {selected_options} scenarios based task question for learning stereochemistry, create 4 scenarios each time and number them: {prompt}"},
|
| 599 |
+
]
|
| 600 |
+
chat_completion = client_groq.chat.completions.create(
|
| 601 |
+
messages=messages,
|
| 602 |
+
model="mixtral-8x7b-32768",
|
| 603 |
+
)
|
| 604 |
+
response = chat_completion.choices[0].message.content
|
| 605 |
+
|
| 606 |
+
if response:
|
| 607 |
+
response_functions = client_openai.chat.completions.create(
|
| 608 |
+
model="gpt-3.5-turbo",
|
| 609 |
+
messages=[{'role': 'user', 'content': response}],
|
| 610 |
+
functions=scenario_custom_functions,
|
| 611 |
+
function_call='auto'
|
| 612 |
+
)
|
| 613 |
+
data = json.loads(response_functions.choices[0].message.function_call.arguments)
|
| 614 |
+
|
| 615 |
+
# Tabs for scenarios
|
| 616 |
+
scenario_tabs = ['Scenario 1', 'Scenario 2', 'Scenario 3', 'Scenario 4']
|
| 617 |
+
tabs = st.tabs(scenario_tabs)
|
| 618 |
+
for i, tab in enumerate(tabs):
|
| 619 |
+
with tab:
|
| 620 |
+
st.header(scenario_tabs[i])
|
| 621 |
+
scenario_text = data[f'scenario_{i+1}']
|
| 622 |
+
st.write(scenario_text)
|
| 623 |
+
chat_completion_subquestions = client_groq.chat.completions.create(
|
| 624 |
+
messages=[
|
| 625 |
+
{
|
| 626 |
+
"role": "user",
|
| 627 |
+
"content": "subdivide this scenario into three subquestions and only give the questions. The scenario is: " + scenario_text,
|
| 628 |
+
}
|
| 629 |
+
],
|
| 630 |
+
model="mixtral-8x7b-32768",
|
| 631 |
+
)
|
| 632 |
+
scenario_generated = chat_completion_subquestions.choices[0].message.content
|
| 633 |
+
st.write(scenario_generated)
|
| 634 |
+
chat_completion_hint = client_groq.chat.completions.create(
|
| 635 |
+
messages=[
|
| 636 |
+
{
|
| 637 |
+
"role": "user",
|
| 638 |
+
"content": "give a sample ideal step-by-step format to attempt to answer this scenario question as a hint. Scenario: " + scenario_text,
|
| 639 |
+
}
|
| 640 |
+
],
|
| 641 |
+
model="mixtral-8x7b-32768",
|
| 642 |
+
)
|
| 643 |
+
st.text_area("Enter your answer here", key=f'answer_{i}')
|
| 644 |
+
|
| 645 |
+
with st.expander("See hint for answering the question" + str(i+1) + "😀"):
|
| 646 |
+
st.write(chat_completion_hint.choices[0].message.content)
|
| 647 |
+
# Upload PDF button
|
| 648 |
+
uploaded_file = st.file_uploader("Upload your answer (PDF)", type="pdf", key=f"pdf_uploader_{i}")
|
| 649 |
+
if uploaded_file is not None:
|
| 650 |
+
st.success("File uploaded successfully!")
|
| 651 |
+
|
| 652 |
+
|
| 653 |
+
col1, col2 = st.columns(2)
|
| 654 |
+
with col1:
|
| 655 |
+
with st.expander("See explanation 3D"):
|
| 656 |
+
components.iframe("https://embed.molview.org/v1/?mode=balls&cid=124527813")
|
| 657 |
+
with col2:
|
| 658 |
+
with st.expander("See explanation 2D"):
|
| 659 |
+
components.iframe("https://marvinjs.chemicalize.com/v1/fcc0cc8570204c48a6447859c71cf611/editor.html?frameId=2cd5fd97-f496-4b6f-8cbc-417acc66684f&origin=https%3A%2F%2Fwww.rcsb.org")
|