Hi TDC team,
I noticed a discrepancy between the dataset statistics listed on the TDC website and the actual data returned by the API.
Website states: 55,370 reactions
Actual data returned: ~3,955 reactions
Reproduction steps:
from tdc.single_pred import Yields
import pandas as pd
data = Yields(name='Buchwald-Hartwig')
split = data.get_split()
df_all = pd.concat([split['train'], split['valid'], split['test']], ignore_index=True)
print(len(df_all)) # returns 3955
Questions:
- Is the 55,370 figure referring to an augmented version of the dataset (e.g., SMILES enumeration)?
- If so, is there a way to download the augmented version (55,370 reactions) through the TDC API?
- If not, could you update the dataset statistics on the website to reflect the correct number?
Thank you!
Hi TDC team,
I noticed a discrepancy between the dataset statistics listed on the TDC website and the actual data returned by the API.
Website states: 55,370 reactions
Actual data returned: ~3,955 reactions
Reproduction steps:
Questions:
Thank you!