Unverified Commit efdc221c authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #1227 from miaecle/gcfix

Fix for graph conv regression
parents e2477458 c3a36ad3
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+1 −0
Original line number Diff line number Diff line
@@ -865,6 +865,7 @@ class GraphConvModel(TensorGraph):
    return self.evaluate_generator(
        self.default_generator(dataset, predict=True),
        metrics,
        transformers=transformers,
        labels=self.my_labels,
        weights=[self.my_task_weights],
        per_task_metrics=per_task_metrics)
+6 −2
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@@ -6,7 +6,7 @@ import deepchem
from deepchem.data import NumpyDataset
from deepchem.models import GraphConvModel
from deepchem.models import TensorGraph
from deepchem.molnet.load_function.delaney_datasets import load_delaney
from deepchem.molnet import load_bace_classification, load_delaney
from deepchem.models.tensorgraph.layers import ReduceSum, L2Loss
from deepchem.models import WeaveModel
from deepchem.feat import ConvMolFeaturizer
@@ -19,7 +19,11 @@ class TestGraphModels(unittest.TestCase):
                  featurizer='GraphConv',
                  num_tasks=2):
    data_points = 10
    if mode == 'classification':
      tasks, all_dataset, transformers = load_bace_classification(featurizer)
    else:
      tasks, all_dataset, transformers = load_delaney(featurizer)

    train, valid, test = all_dataset
    for i in range(1, num_tasks):
      tasks.append("random_task")
+1 −1
Original line number Diff line number Diff line
@@ -7,7 +7,7 @@ from __future__ import unicode_literals

import numpy as np

from models import GraphConvModel
from deepchem.models import GraphConvModel

np.random.seed(123)
import tensorflow as tf