5
5
import sys ,os
6
6
import glob
7
7
import optparse
8
+ from keras .utils .data_utils import get_file
8
9
HOME = os .environ ['HOME' ]
9
10
def parse_list (option , opt , value , parser ):
10
11
setattr (parser .values , option .dest , value .split (',' ))
@@ -31,7 +32,7 @@ def parse_list(option, opt, value, parser):
31
32
sys .exit (0 )
32
33
sys .path .append ('home_dir' )
33
34
34
- import candle . candle_helper_functions as hf
35
+ import candle_helper_functions as hf
35
36
reload (hf )
36
37
maps = hf .autoencoder_preprocess ()
37
38
#from keras.Helpermodules.mnist_autoencoder_helper_functions import mnist_conv_deconv_simple, mnist_conv_deconv_complex,mnist_autoencoder_preprocess,generate_figure
@@ -47,7 +48,7 @@ def parse_list(option, opt, value, parser):
47
48
batch_size = 16
48
49
##### Read Data ########
49
50
print ('Reading Data...' )
50
- data_file = '%s/Work/DataSets/CANDLE/sim-numpy .npy'% HOME ### can code to read at the terminal
51
+ data_file = get_file ( 'p2_small_baseline.npy' , origin = 'http://ftp.mcs.anl.gov/pub/candle/public/benchmarks/P2B1/p2_small_baseline .npy')
51
52
print 'Data File: %s' % data_file
52
53
print 'Data Format: [Num Samples, Num Molecules, Num Atoms, Position]'
53
54
@@ -121,4 +122,4 @@ def step_decay(epoch):
121
122
pickle .dump (loss_data ,o )
122
123
o .close ()
123
124
124
-
125
+
0 commit comments