torchdrug
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Reading own dataset??
I am a new user of AI, and I have followed a molecule generation tutorial in Colab. However, I encountered an error when I tried to use my dataset. Unfortunately, I don't know how to solve this error. Could you please assist me?
The dataset you need is not tthe pandas dataset, but an instance of the Dataset object in torchdrug. Try doing something like:
import pandas as pd
from torchdrug.dataset import MoleculeDataset
molecule_dataset = MoleculeDataset.from_smiles(csv_file = "out.csv")
This should do the trick.