First of all, wonderful tools!
I have difficulty getting chebai-graph (the latest version) to work with the latest version of chebifier. After some investigation manually and with Claude Code, I ended up with a potential bug in the reader. It seems like the issue goes all the way back to this, which means changing the two occurences of _sanitize_molecule(mol) to mol = _sanitize_molecule(mol) must fix the issue. I tested it locally and it worked!
First of all, wonderful tools!
I have difficulty getting
chebai-graph(the latest version) to work with the latest version ofchebifier. After some investigation manually and with Claude Code, I ended up with a potential bug in the reader. It seems like the issue goes all the way back to this, which means changing the two occurences of_sanitize_molecule(mol)tomol = _sanitize_molecule(mol)must fix the issue. I tested it locally and it worked!