Merge pull request #33 from JinyuanSun/dev02 (a632a38c) · Commits · github_fork / ChatMol

copilot_public/main.py

+10 −8

Original line number	Diff line number	Diff line
		@@ -101,6 +101,16 @@ if st.sidebar.button("Clear Project History"):
		st.session_state.new_added_functions = []
		st.session_state.cfn = cfn_.ChatmolFN()


		# button_1, button_2 = st.columns([1, 1])
		if st.sidebar.button("Show/Hide Mol*"):
		if (st.session_state.get('molstar',True)):
		st.session_state['molstar'] = False
		_, chatcol, _ = st.columns([1, 3, 1])
		else:
		chatcol, displaycol = st.columns([1, 1])
		st.session_state['molstar'] = True

		if not os.path.exists(work_dir):
		os.makedirs(work_dir)
		if os.path.exists(f"{work_dir}/.history"):
		@@ -208,14 +218,6 @@ if "messages" not in st.session_state or st.session_state.messages == []:

		chatcol, displaycol = st.columns([1, 1])

		# button_1, button_2 = st.columns([1, 1])
		if st.sidebar.button("Show Mol*"):
		chatcol, displaycol = st.columns([1, 1])
		st.session_state['molstar'] = True

		if st.sidebar.button("Hide Mol*"):
		st.session_state['molstar'] = False
		_, chatcol, _ = st.columns([1, 3, 1])

		with chatcol:
		for message in st.session_state.messages:

+3 −1

Original line number	Diff line number	Diff line
		@@ -25,7 +25,9 @@ def get_smiles_feature(self, smiles):
		f"LOGP: {p.ALOGP:.2f}, "
		f"HBA (Hydrogen Bond Acceptors): {p.HBA}, "
		f"HBD (Hydrogen Bond Donors): {p.HBD}, "
		f"PSA (Polar Surface Area): {p.PSA:.2f}"
		f"PSA (Polar Surface Area): {p.PSA:.2f}, "
		f"ROTB (Rotatble Bonds): {p.ROTB}, "
		f"AROM (Aromatic Rings): {p.AROM}"
		)
		return formatted_result