Commit 037bc029 authored by rfhari's avatar rfhari
Browse files

Fix deprecation warnings occuring due to invalid escape sequences

parent f833295d
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+1 −1
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@@ -394,7 +394,7 @@ def h(d):
class VinaModel(Model):

  def __init__(self, logdir=None, batch_size=50):
    """Vina models.
    r"""Vina models.

    .. math:: c = \sum_{i < j} f_{t_i,t_j}(r_{ij})

+2 −2
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@@ -25,7 +25,7 @@ def compute_centroid(coordinates):


def generate_random__unit_vector():
  """Generate a random unit vector on the 3-sphere.
  r"""Generate a random unit vector on the 3-sphere.
  citation:
  http://mathworld.wolfram.com/SpherePointPicking.html

@@ -43,7 +43,7 @@ def generate_random__unit_vector():


def generate_random_rotation_matrix():
  """Generate a random rotation matrix in 3D.
  r"""Generate a random rotation matrix in 3D.

  1. Generate a random unit vector u, randomly sampled from the unit
     3-sphere (see function generate_random__unit_vector() for details)
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@@ -70,7 +70,7 @@ def test_weave_single_carbon():

def test_chiral_weave():
  """Test weave features on a molecule with chiral structure."""
  mols = ["F\C=C\F"]  # noqa: W605
  mols = [r"F\C=C\F"]
  featurizer = dc.feat.WeaveFeaturizer(use_chirality=True)
  mol_list = featurizer.featurize(mols)
  mol = mol_list[0]
+2 −2
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@@ -1882,7 +1882,7 @@ class ANIFeat(tf.keras.layers.Layer):


class GraphEmbedPoolLayer(tf.keras.layers.Layer):
  """
  r"""
  GraphCNNPool Layer from Robust Spatial Filtering with Graph Convolutional Neural Networks
  https://arxiv.org/abs/1703.00792

@@ -1975,7 +1975,7 @@ class GraphEmbedPoolLayer(tf.keras.layers.Layer):


class GraphCNN(tf.keras.layers.Layer):
  """
  r"""
  GraphCNN Layer from Robust Spatial Filtering with Graph Convolutional Neural Networks
  https://arxiv.org/abs/1703.00792

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@@ -202,7 +202,7 @@ def load_pdbbind(reload=True,
  if save_timestamp:
    save_folder = "%s-%s-%s" % (save_folder,
                                time.strftime("%Y%m%d", time.localtime()),
                                re.search("\.(.*)", str(time.time())).group(1))
                                re.search(r"\.(.*)", str(time.time())).group(1))

  if reload:
    if not os.path.exists(save_folder):
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