Commit 4a20f2f8 authored by nd-02110114's avatar nd-02110114
Browse files

🐛 fix some bug

parent b318bd39
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+4 −5
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@@ -21,15 +21,12 @@ install:
- if [[ "$TRAVIS_OS_NAME" == "windows" ]]; then choco install miniconda3 --params="'/JustMe
  /AddToPath:1'"; export PATH="/c/tools/miniconda3/:/c/tools/miniconda3/Scripts:/c/tools/miniconda3/Library/bin:$PATH";
  source /c/tools/miniconda3/etc/profile.d/conda.sh; fi
- hash -r
- conda config --set always_yes yes --set changeps1 no
- conda update -q conda
- conda config --add channels http://conda.binstar.org/omnia
- bash scripts/install_deepchem_conda.sh deepchem
- conda activate deepchem
- pip install yapf==0.22.0
- pip install coveralls
- python setup.py install
- pip install coveralls yapf==0.22.0
script:
- pytest -m "not slow" --cov=deepchem deepchem
- if [ $TRAVIS_PYTHON_VERSION == '3.7' ]; then find ./deepchem | grep .py$ | xargs
@@ -44,3 +41,5 @@ deploy:
  password:
    secure: 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
  edge: true
  on:
    condition: $TRAVIS_OS_NAME = linux && $TRAVIS_PYTHON_VERSION = 3.7
+1 −1
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@@ -16,7 +16,7 @@ materials science, quantum chemistry, and biology.
- [Requirements](#requirements)
- [Installation](#installation)
  - [Stable version](#stable-version)
  - [Nightly version](#nightly-build-version)
  - [Nightly build version](#nightly-build-version)
  - [Docker](#docker)
  - [From source](#from-source)
- [Getting Started](#getting-started)
+3 −1
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"""
Imports all submodules
"""
__version__ = '2.4.0-rc.1'

# If you push the tag, please remove `.dev`
__version__ = '2.4.0-rc1.dev'

import deepchem.data
import deepchem.feat
+5 −7
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@@ -435,7 +435,7 @@ def _cosine_dist(x, y):


class AttnLSTMEmbedding(tf.keras.layers.Layer):
  """Implements AttnLSTM as in matching networks paper.
  """Implements AttnLSTM as in matching networks paper [1]_, [2]_.

  The AttnLSTM embedding adjusts two sets of vectors, the "test" and
  "support" sets. The "support" consists of a set of evidence vectors.
@@ -447,12 +447,10 @@ class AttnLSTMEmbedding(tf.keras.layers.Layer):
  metric that allows a network to modify its internal notion of
  distance.

  References:
  Matching Networks for One Shot Learning
  https://arxiv.org/pdf/1606.04080v1.pdf

  Order Matters: Sequence to sequence for sets
  https://arxiv.org/abs/1511.06391
  References
  ----------
  .. [1] Matching Networks for One Shot Learning, https://arxiv.org/abs/1606.04080
  .. [2] Order Matters: Sequence to sequence for sets, https://arxiv.org/abs/1511.06391
  """

  def __init__(self, n_test, n_support, n_feat, max_depth, **kwargs):
+10 −7
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@@ -37,13 +37,16 @@ def load_clintox(featurizer='ECFP',

  References
  ----------
  Gayvert, Kaitlyn M., Neel S. Madhukar, and Olivier Elemento. "A data-driven approach to predicting successes and failures of clinical trials." Cell chemical biology 23.10 (2016): 1294-1301.

  Artemov, Artem V., et al. "Integrated deep learned transcriptomic and structure-based predictor of clinical trials outcomes." bioRxiv (2016): 095653.

  Novick, Paul A., et al. "SWEETLEAD: an in silico database of approved drugs, regulated chemicals, and herbal isolates for computer-aided drug discovery." PloS one 8.11 (2013): e79568.

  Aggregate Analysis of ClincalTrials.gov (AACT) Database. https://www.ctti-clinicaltrials.org/aact-database
  .. [1] Gayvert, Kaitlyn M., Neel S. Madhukar, and Olivier Elemento. 
     "A data-driven approach to predicting successes and failures of clinical trials." 
     Cell chemical biology 23.10 (2016): 1294-1301.
  .. [2] Artemov, Artem V., et al. "Integrated deep learned transcriptomic and 
     structure-based predictor of clinical trials outcomes." bioRxiv (2016): 095653.
  .. [3] Novick, Paul A., et al. "SWEETLEAD: an in silico database of approved drugs, 
     regulated chemicals, and herbal isolates for computer-aided drug discovery." 
     PloS one 8.11 (2013): e79568.
  .. [4] Aggregate Analysis of ClincalTrials.gov (AACT) Database. 
     https://www.ctti-clinicaltrials.org/aact-database
  """
  if data_dir is None:
    data_dir = DEFAULT_DIR
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