Commit d26a01e4 authored by Aneesh's avatar Aneesh
Browse files

fixing merge issues -- fixed

parent c1824cbc

deepchem/datasets/tests/__init__.py

+1 −1
Original line number Diff line number Diff line
@@ -86,6 +86,6 @@ class TestDatasetAPI(TestAPI): 
    loader = DataLoader(

        tasks=tasks,

        smiles_field="smiles",

        featurizers=featurizer,

        featurizer=featurizer,

        verbosity="low")

    return loader.featurize(input_file, self.data_dir)

deepchem/splits/__init__.py

+0 −2
Original line number Diff line number Diff line
@@ -259,7 +259,6 @@ class RandomSplitter(Splitter): 
        """

        Splits internal compounds randomly into train/validation/test.

        """

<<<<<<< 0017a77551376a895531b1020b82acc9029563cd

        np.testing.assert_almost_equal(frac_train + frac_valid + frac_test, 1.)

        np.random.seed(seed)

        num_datapoints = len(dataset)
@@ -279,7 +278,6 @@ class ScaffoldSplitter(Splitter): 
        """

        Splits internal compounds into train/validation/test by scaffold.

        """

<<<<<<< 0017a77551376a895531b1020b82acc9029563cd

        np.testing.assert_almost_equal(frac_train + frac_valid + frac_test, 1.)

        scaffolds = {}

        log("About to generate scaffolds", self.verbosity)

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