Commit fc7d9850 authored by Bharath's avatar Bharath
Browse files

Simple shape fix

parent c08762b1

deepchem/datasets/__init__.py

+1 −1
Original line number Diff line number Diff line
@@ -636,7 +636,7 @@ def convert_df_to_numpy(df, feature_type, tasks, mol_id_field): 
    for task in range(n_tasks):

      if y[ind, task] == "":

        missing[ind, task] = 1

  x = np.array(list(df[feature_type].values))

  x = np.squeeze(np.array(list(df[feature_type].values)))

  ############################################################## DEBUG

  time2 = time.time()

  print("CONVERT_DF_TO_NUMPY X COMP TOOK %0.3f s" % (time2-time1))

deepchem/datasets/tests/test_datasets.py

+3 −0
Original line number Diff line number Diff line
@@ -41,6 +41,9 @@ class TestBasicDatasetAPI(TestDatasetAPI): 
    ################################################################# DEBUG

    print("solubility_dataset.get_data_shape()")

    print(solubility_dataset.get_data_shape())

    X, y, w, ids = solubility_dataset.to_numpy()

    print("X.shape, y.shape, w.shape, ids.shape")

    print(X.shape, y.shape, w.shape, ids.shape)

    ################################################################# DEBUG

    assert solubility_dataset.get_data_shape() == (1024,)

CRA Git | Maintained and supported by SUSTech CRA and CCSE