molecule-generation
molecule-generation copied to clipboard
MoLeR inference server hangs on invalid SMILES
If MoLeRInferenceServer receives an invalid SMILES string (e.g. through molecule_generation encode), it just hangs, likely because the corresponding process failed, and the server ends up waiting for it indefinitely. This is far from ideal.
I see two kinds of behaviour we could aim for instead when encoding receives an invalid molecule:
- The top-level process itself also fails with an exception.
- The encoding carries on, returning
Nonefor the invalid molecules.
If possible, it could be nice to support both by having __init__ accept an fail_on_invalid_smiles: bool flag.