Commit 8233320d authored by Bharath Ramsundar's avatar Bharath Ramsundar Committed by GitHub
Browse files

Merge pull request #492 from lilleswing/fix-benchmark-2

Fix benchmark Code
parents 6c6b5faa 78833f58
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@@ -21,9 +21,9 @@ ENV PATH /miniconda/bin:$PATH
# TODO: Get rid of this when there is a stable release of deepchem.
RUN git clone https://github.com/deepchem/deepchem.git && \
    cd deepchem && \
    git checkout 415aebadff54175b7ba108964723c8f69438af94 && \
    git checkout tags/1.0.0 && \
    bash scripts/install_deepchem_conda.sh root && \
    pip install tensorflow-gpu==0.12.1 && \
    pip install tensorflow-gpu==1.0.1 && \
    python setup.py develop

# Clean up
+0 −3
Original line number Diff line number Diff line
@@ -37,7 +37,6 @@ import time
import deepchem as dc
import tensorflow as tf
import argparse
from keras import backend as K
import csv
from sklearn.ensemble import RandomForestClassifier
from sklearn.ensemble import RandomForestRegressor
@@ -493,7 +492,6 @@ def benchmark_classification(train_dataset,

    g = tf.Graph()
    sess = tf.Session(graph=g)
    K.set_session(sess)
    # Building graph convolution model
    tf.set_random_seed(seed)
    graph_model = dc.nn.SequentialGraph(n_features)
@@ -693,7 +691,6 @@ def benchmark_regression(train_dataset,

    g = tf.Graph()
    sess = tf.Session(graph=g)
    K.set_session(sess)
    # Building graph convoluwtion model
    tf.set_random_seed(seed)
    graph_model = dc.nn.SequentialGraph(n_features)