Unverified Commit e61a8d38 authored by Qinqing Liu's avatar Qinqing Liu Committed by GitHub
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Update sampl_graph_conv.py

Replace the comments about Tox21 to SAMPL(FreeSolv) since this is code for SAMPL.
parent f3ccbc93
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"""
Script that trains graph-conv models on Tox21 dataset.
Script that trains graph-conv models on SAMPL(FreeSolv) dataset.
"""
from __future__ import print_function
from __future__ import division
@@ -12,7 +12,7 @@ tf.set_random_seed(123)
import deepchem as dc
from deepchem.molnet import load_sampl

# Load Tox21 dataset
# Load SAMPL(FreeSolv) dataset
SAMPL_tasks, SAMPL_datasets, transformers = load_sampl(featurizer='GraphConv')
train_dataset, valid_dataset, test_dataset = SAMPL_datasets