Commit f639f956 authored by miaecle's avatar miaecle
Browse files

minor change

parent 4ec24adf
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+2 −3
Original line number Diff line number Diff line
@@ -10,7 +10,7 @@ import numpy as np
import shutil
import deepchem as dc

def load_sampl(featurizer='ECFP', split='random', frac_train=0.8):
def load_sampl(featurizer='ECFP', split='index'):
  """Load SAMPL datasets."""
  # Featurize SAMPL dataset
  print("About to featurize SAMPL dataset.")
@@ -39,6 +39,5 @@ def load_sampl(featurizer='ECFP', split='random', frac_train=0.8):
               'random': dc.splits.RandomSplitter(),
               'scaffold': dc.splits.ScaffoldSplitter()}
  splitter = splitters[split]
  train, valid, test = splitter.train_valid_test_split(dataset, frac_train=frac_train,
                             frac_valid=1-frac_train, frac_test=0.)
  train, valid, test = splitter.train_valid_test_split(dataset)
  return SAMPL_tasks, (train, valid, test), transformers