PubChem10M subset available from DeepChemData
Using the Self-Referencing Embedded Strings (SELFIES) molecular representation
Converted using the following code snippet:
from datasets import load_dataset
import selfies
def smiles_to_selfies(dataset):
try:
return {"selfies":… See the full description on the dataset page:
https://huggingface.co/datasets/introvoyz041/PubChem10M_SMILES_SELFIES.
