Commit 8fb3efd4 authored by Vignesh's avatar Vignesh
Browse files

Transformers to list, when split is None

parent 56f27499
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+8 −4
Original line number Diff line number Diff line
@@ -118,8 +118,12 @@ def load_chembl25(featurizer="smiles2seq",
      input_files=[dataset_file], shard_size=10000, data_dir=save_folder)

  if split is None:
    transformer = dc.trans.NormalizationTransformer(
    transformer = [
        dc.trans.NormalizationTransformer(
            transform_X=False, transform_y=True, dataset=dataset)
    ]
    logger.info("Split is None, about to transform dataset.")
    for transformer in transformers:
      dataset = transformer.transform(dataset)
    return chembl25_tasks, (dataset, None, None), transformers

@@ -129,7 +133,7 @@ def load_chembl25(featurizer="smiles2seq",
      'scaffold': dc.splits.ScaffoldSplitter(),
  }

  logger.info("About to split data.")
  logger.info("About to split data with {} splitter.".format(split))
  splitter = splitters[split]

  train, valid, test = splitter.train_valid_test_split(dataset, seed=split_seed)