Commit 812a511d authored by miaecle's avatar miaecle
Browse files

fixing faults

parent bc3a1e14

deepchem/models/tf_new_models/graph_topology.py

+1 −1
Original line number Diff line number Diff line
@@ -219,7 +219,7 @@ class DTNNGraphTopology(GraphTopology): 
      Can be merged with other feed_dicts for input into tensorflow

    """

    # Extract atom numbers

    atom_number = np.asarray(map(np.diag, batch))

    atom_number = np.asarray(list(map(np.diag, batch)))

    atom_mask = np.sign(atom_number)

    atom_number = np.asarray(

        np.round(np.power(2 * atom_number, 1 / 2.4)), dtype=int)

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