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I will add the chebi-20 dataset from this paper which provides rows which map from "CID", "SMILES" and a natural language description of the particular molecule.
Basic template could be The molecule <CID> with smiles <SMILES> can be described as follows ____. This dataset is also already mentioned in the awesome-chemistry-datasets repository.
The text was updated successfully, but these errors were encountered:
In order to test out the functionality of Hugging Face datasets, I can try to upload this to the OpenBioML Hugging Face organisation and use that path within the transform.py script.
Overview
I will add the
chebi-20
dataset from this paper which provides rows which map from "CID", "SMILES" and a natural language description of the particular molecule.Basic template could be
The molecule <CID> with smiles <SMILES> can be described as follows ____
. This dataset is also already mentioned in the awesome-chemistry-datasets repository.The text was updated successfully, but these errors were encountered: