Open vthost opened 3 years ago
Did you filter the training data from https://cscdata.nrel.gov/#/datasets/ad5d2c9a-af0a-4d72-b943-1e433d5750d6 in a specific way? Because the smiles_train from there (which I assume you used?) contains a few more samples. Thank you already!
Did you filter the training data from https://cscdata.nrel.gov/#/datasets/ad5d2c9a-af0a-4d72-b943-1e433d5750d6 in a specific way? Because the smiles_train from there (which I assume you used?) contains a few more samples. Thank you already!