Error when selecting "Dimethyl ether" in dropdown menu

[RenkeHuang]

The above error occurs for “Dimethyl ether.” This bug is caused by a mismatch between the labels used in the Streamlit dropdown menu and the keys in the EXAMPLE_MOLECULES dictionary.

A good practice is to consolidate the dropdown options directly from the dictionary keys to ensure consistency. This can be done by modifying lines 430–453 as:

molecule_choice = st.selectbox(
    "Select example molecule or paste custom XYZ:",
    list(EXAMPLE_MOLECULES.keys()) + ["Custom"]
)