Problem with some SMILES

[agent]

My submission was evaluated sucsessfuly in debug mode. I set “debug: false” and got “submission failed”, because function rdkit.Chem.MolFromSmiles returned None for some input strings. My rdkit version is 2020.09.2

Could you please check SMILES in test data?

[yacotaco]

There is SMILE which also breaks my code. My temporary fix for this is try except.

[Wuala]

Hello,

I encountered the same problem, I posted a question about it here:

Submission Error in Non-debug Mode

Hello, I have a related problem with my submission in non-debug mode: using my code I can process all the smiles stings of the train set, but once the program runs on the set of the non-debug submission the code fails to process some of the strings. I suspect that the error is probably due to some special char in the test set smiles (like a backslash), in any case I find very strange that this error don’t show up for any of the smiles in the train set and multiple times during the test

Since I didn’t get any answer I’m reposting.

Thank you in advance for your help.

[mohanty]

Hey,

We are on this.
We will get back to you soon with updates from our end.
@shivam is coordinating the efforts from our end.

Best,
Mohanty

[shivam]

Hi everyone,

We received inputs from multiple participants and identified which SMILES were causing issues to popular implementation like RDKit, etc.

We have fixed it at our side, so your submissions would no longer break for NoneType and Unicode error.

In case any new submission fails for a similar error, let us know your submission ID and we can pinpoint which SMILE is causing an issue for you.
In case you want to rerun your old submission which failed due to this error, you can comment on your GitLab issue with “rerun this”.

Happy submitting and wish you all luck for the top position at the leaderboard!