support the new model (9bf3bfb8) · Commits · github_fork / ChatMol

chatmol-streamlit/chatmol-streamlit.py

+11 −4

chatmol_pkg/chatmol/init.py

+6 −1

Original line number	Original line	Diff line number	Diff line
	@@ -12,6 +12,9 @@ def chat_with_gpt(message):
	def chat_with_claude(message):		def chat_with_claude(message):
	return defaul_client.chat_with_claude(message)		return defaul_client.chat_with_claude(message)

			def chat_with_chatmol_llm(message):
			return defaul_client.chat_with_chatmol_llm(message)

	def clear_stashed_commands():		def clear_stashed_commands():
	return defaul_client.clear_stashed_commands()		return defaul_client.clear_stashed_commands()

	@@ -25,3 +28,5 @@ def start_pymol_gui():

	def warnings():		def warnings():
	return defaul_client.warnings		return defaul_client.warnings

			__version__ = "0.3.0"
			No newline at end of file

chatmol_pkg/chatmol/pymol_server.py

+44 −1

Original line number	Original line	Diff line number	Diff line
	@@ -151,3 +151,46 @@ class PymolServer():
	except Exception as e:		except Exception as e:
	print(f"Error during command execution: {e}")		print(f"Error during command execution: {e}")
	return response		return response

			def chatmol(self, message, execute:bool=True):
			message = message.strip()
			if message == "e" or message == 'execute':
			if len(self.cm.stashed_commands) == 0:
			print("There is no stashed commands")
			else:
			for command in self.cm.stashed_commands:
			self.server.do(command)
			self.cm.clear_stashed_commands()
			return 0

			if message == "new":
			self.cm.clear_chat_history()
			self.cm.clear_stashed_commands()
			return 0

			if message.endswith('?'):
			execute = False

			response = self.cm.chat_with_chatmol_llm(message) # Using the chat_with_gpt method
			print("ChatMol:", response)
			try:
			command_blocks = []
			self.cm.clear_stashed_commands()
			for i, block in enumerate(response.split("```")):
			if i % 2 == 1:
			command_blocks.append(block)
			for command_block in command_blocks:
			for command in command_block.split("\n"):
			if command.strip() and not command.strip().startswith("#"):
			if command.strip() == "pymol" or command.strip() == "bash":
			continue # Skipping python commands
			if "#" in command:
			command, comment = command.split("#")
			if execute:
			print(command)
			self.server.do(command)
			else:
			self.cm.stashed_commands.append(command)
			except Exception as e:
			print(f"Error during command execution: {e}")
			return response

chatmol_pkg/chatmol/utils.py

+31 −0

Original line number	Original line	Diff line number	Diff line
	@@ -27,6 +27,7 @@ class ChatMol:
	self.lite_conversation_history = ""		self.lite_conversation_history = ""
	self.chatgpt_conversation_history = []		self.chatgpt_conversation_history = []
	self.claude_conversation_messages = []		self.claude_conversation_messages = []
			self.chatmol_llm_conversation_history = []
	self.chatgpt_sys_prompt = "You are an expert familiar with PyMOL and specialized in providing PyMOL command line code solutions accuratly, and concisely. "		self.chatgpt_sys_prompt = "You are an expert familiar with PyMOL and specialized in providing PyMOL command line code solutions accuratly, and concisely. "
	self.chatgpt_sys_prompt += "When providing demos or examples, try to use 'fetch' if object name is not provided. "		self.chatgpt_sys_prompt += "When providing demos or examples, try to use 'fetch' if object name is not provided. "
	self.chatgpt_sys_prompt += "Prefer academic style visulizations. Code within triple backticks, comment and code should not in the same line."		self.chatgpt_sys_prompt += "Prefer academic style visulizations. Code within triple backticks, comment and code should not in the same line."
	@@ -99,6 +100,11 @@ class ChatMol:


	def init_clients(self):		def init_clients(self):
			self.client_chatmol = OpenAI(
			api_key="0",
			base_url="https://u48777-be32-7f3f0ef6.westb.seetacloud.com:8443/v1"
			)

	if os.environ.get("ANTHROPIC_API_KEY"):		if os.environ.get("ANTHROPIC_API_KEY"):
	self.client_anthropic = anthropic.Anthropic(api_key=os.environ.get("ANTHROPIC_API_KEY"))		self.client_anthropic = anthropic.Anthropic(api_key=os.environ.get("ANTHROPIC_API_KEY"))
	elif api_key := self.load_api_key("anthropic") != "":		elif api_key := self.load_api_key("anthropic") != "":
	@@ -182,6 +188,31 @@ class ChatMol:
	print(f"Error: {e}")		print(f"Error: {e}")
	return ""		return ""

			def chat_with_chatmol_llm(self, message):
			self.chatmol_llm_conversation_history.append(
			{"role": "user", "content": message}
			)
			try:
			messages = []
			for message in self.chatmol_llm_conversation_history[-self.chatgpt_max_history:]:
			messages.append(message)
			response = self.client_chatmol.chat.completions.create(
			model="test",
			messages=messages,
			max_tokens=self.chatgpt_max_tokens,
			n=1,
			temperature=0,
			)
			answer = response.choices[0].message.content.strip()

			self.chatmol_llm_conversation_history.append(
			{"role": "assistant", "content": answer}
			)
			return answer
			except Exception as e:
			print(f"Error: {e}")
			return ""

	def chat_with_claude(self, message):		def chat_with_claude(self, message):
	try:		try:
	self.claude_conversation_messages.append({"role": "user", "content": message})		self.claude_conversation_messages.append({"role": "user", "content": message})

chatmol_pkg/setup.py

+1 −1

Original line number	Original line	Diff line number	Diff line
	@@ -2,7 +2,7 @@ from setuptools import setup, find_packages

	setup(		setup(
	name='chatmol',		name='chatmol',
	version='0.2.3',		version='0.3.0',
	packages=find_packages(),		packages=find_packages(),
	install_requires=[		install_requires=[
	'requests',		'requests',

Original line number	Original line	Diff line number	Diff line
	@@ -6,13 +6,14 @@ st.sidebar.markdown("Welcome to ChatMol! ChatMol is a tool that allows you to in

	openai_llms = ['gpt-4o', 'gpt-4-turbo', 'gpt-3.5-turbo']		openai_llms = ['gpt-4o', 'gpt-4-turbo', 'gpt-3.5-turbo']
	claude_llms = ['claude-3-5-sonnet-20240620', 'claude-3-sonnet-20240229', 'claude-3-haiku-20240307', 'claude-3-opus-20240229']		claude_llms = ['claude-3-5-sonnet-20240620', 'claude-3-sonnet-20240229', 'claude-3-haiku-20240307', 'claude-3-opus-20240229']
	chatmol_llms = ['chatlite']		chatmol_llms = ['chatlite', "chatmol-llm-0.1"]

	introduction_of_models = {		introduction_of_models = {
	'gpt-4o': "GPT-4o (“o” for “omni”) is most advanced model of OpenAI. It has the same high intelligence as GPT-4 Turbo but is much more efficient—it generates text 2x faster and is 50% cheaper.",		'gpt-4o': "GPT-4o (“o” for “omni”) is most advanced model of OpenAI. It has the same high intelligence as GPT-4 Turbo but is much more efficient—it generates text 2x faster and is 50% cheaper.",
	'gpt-4-turbo': "GPT-4 can solve difficult problems with greater accuracy than any of previous models of OpenAI, thanks to its broader general knowledge and advanced reasoning capabilities.",		'gpt-4-turbo': "GPT-4 can solve difficult problems with greater accuracy than any of previous models of OpenAI, thanks to its broader general knowledge and advanced reasoning capabilities.",
	'gpt-3.5-turbo': "GPT-3.5 Turbo models can understand and generate natural language or code and have been optimized for chat.",		'gpt-3.5-turbo': "GPT-3.5 Turbo models can understand and generate natural language or code and have been optimized for chat.",
	'chatlite': "A model provided by ChatMol freely available to all, which is optimized for PyMOL commands generation but not good for general chat.",		'chatlite': "A service provided by ChatMol freely available to all, which is optimized for PyMOL commands generation but not good for general chat.",
			'chatmol-llm-0.1': "A model provided by ChatMol freely available to all, which is optimized for PyMOL commands generation but still can be used for general chat.",
	'claude-3-5-sonnet-20240620': "Most intelligent model of Anthropic, combining top-tier performance with improved speed. Currently the only model in the Claude 3.5 family.\n - Advanced research and analysis\n - Complex problem-solving\n - Sophisticated language understanding and generation\n - High-level strategic planning",		'claude-3-5-sonnet-20240620': "Most intelligent model of Anthropic, combining top-tier performance with improved speed. Currently the only model in the Claude 3.5 family.\n - Advanced research and analysis\n - Complex problem-solving\n - Sophisticated language understanding and generation\n - High-level strategic planning",
	'claude-3-sonnet-20240229': "Balances intelligence and speed for high-throughput tasks.\n - Data processing over vast amounts of knowledge\n - Sales forecasting and targeted marketing\n - Code generation and quality control",		'claude-3-sonnet-20240229': "Balances intelligence and speed for high-throughput tasks.\n - Data processing over vast amounts of knowledge\n - Sales forecasting and targeted marketing\n - Code generation and quality control",
	'claude-3-haiku-20240307': "Near-instant responsiveness that can mimic human interactions.\n - Live support chat\n - Translations\n - Content moderation\n - Extracting knowledge from unstructured data",		'claude-3-haiku-20240307': "Near-instant responsiveness that can mimic human interactions.\n - Live support chat\n - Translations\n - Content moderation\n - Extracting knowledge from unstructured data",
	@@ -69,14 +70,20 @@ if prompt := st.chat_input("What is up?"):
	elif st.session_state["llm"] in claude_llms:		elif st.session_state["llm"] in claude_llms:
	response = st.session_state["cm"].chat_with_claude(f"This is the log: \n\n{st.session_state['ps'].pymol_console}\n\n. This is my question: \n\n{prompt}")		response = st.session_state["cm"].chat_with_claude(f"This is the log: \n\n{st.session_state['ps'].pymol_console}\n\n. This is my question: \n\n{prompt}")
	elif st.session_state["llm"] in chatmol_llms:		elif st.session_state["llm"] in chatmol_llms:
	response = st.session_state["cm"].chatlite(f"Instruction: {prompt}")		if st.session_state["llm"] == "chatlite":
			response = st.session_state["ps"].chatlite(f"Instruction: {prompt}")
			else:
			response = st.session_state["ps"].chatmol(f"{prompt}")
	else:		else:
	if st.session_state["llm"] in openai_llms:		if st.session_state["llm"] in openai_llms:
	response = st.session_state["ps"].chatgpt(f"This is the log: \n\n{st.session_state['ps'].pymol_console}\n\n. This is my instruction: \n\n{prompt}")		response = st.session_state["ps"].chatgpt(f"This is the log: \n\n{st.session_state['ps'].pymol_console}\n\n. This is my instruction: \n\n{prompt}")
	elif st.session_state["llm"] in claude_llms:		elif st.session_state["llm"] in claude_llms:
	response = st.session_state["ps"].claude(f"This is the log: \n\n{st.session_state['ps'].pymol_console}\n\n. This is my instruction: \n\n{prompt}")		response = st.session_state["ps"].claude(f"This is the log: \n\n{st.session_state['ps'].pymol_console}\n\n. This is my instruction: \n\n{prompt}")
	elif st.session_state["llm"] in chatmol_llms:		elif st.session_state["llm"] in chatmol_llms:
			if st.session_state["llm"] == "chatlite":
	response = st.session_state["ps"].chatlite(f"Instruction: {prompt}")		response = st.session_state["ps"].chatlite(f"Instruction: {prompt}")
			else:
			response = st.session_state["ps"].chatmol(f"{prompt}")

	st.session_state.messages.append({"role": "assistant", "content": response})		st.session_state.messages.append({"role": "assistant", "content": response})
	with st.chat_message("assistant"):		with st.chat_message("assistant"):

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