Where is auxiliary/MassSpecGym_classyfire_all.tsv

[JeremyChou28]

Hi, thanks for your work.
May I ask where is the auxiliary/MassSpecGym_classyfire_all.tsv file in dataset_statistics.ipynb?

[JeremyChou28]

In demo.ipynb, this function "utils.get_smiles_bpe_tokenizer()" is also missing.

[anton-bushuiev]

Hi Jeremy! Thank you for pointing out the bugs and sorry for the delayed response.

• We have uploaded the auxiliary/MassSpecGym_classyfire_all.tsv file to Hugging Face.
• We forgot to update the demo notebook after refactoring the molecule tokenizers. We have now updated the demo.ipynb with the updated usage. You can also find an example of using SmilesBPETokenizer, SelfiesTokenizer in the run.py script.

[JeremyChou28]

Thank you for your reply. I will try to reproduce it.