If smiles can not be converted by Decriptasorus, uninformative TypeError thrown

Oloren-AI / olorenchemengine

OCE is the first infinitely composable library for reproducibly implementing SOTA molecular property prediction/QSAR techniques.

MIT License

98 stars 14 forks source link

Closed kgano-ucsd closed 2 years ago

kgano-ucsd commented 2 years ago

Added better error message in this case

kgano-ucsd commented 2 years ago

Thanks! Raised a ValueError, let me know what you think.