glouppe

import numpy
import random
from sklearn.datasets import fetch_mldata
mnist = fetch_mldata('MNIST original')
# Define training and testing sets
inds = numpy.arange(len(mnist.data))
test_i = random.sample(xrange(len(inds)), int(0.1*len(inds)))
train_i = numpy.delete(inds, test_i)
X_train = mnist.data[train_i].astype(numpy.double)
y_train = mnist.target[train_i].astype(numpy.double)

glouppe

import numpy as np
import os

from collections import defaultdict
from git import Repo
from scipy.sparse import csc_matrix

path = "/home/gilles/Sources/scikit-learn/sklearn/"
extensions = ["py", "pyx", "pxd"]

glouppe

import numpy as np
import argparse
import cPickle
import scipy.cluster.hierarchy as hac

from itertools import groupby
from itertools import product
from scipy.sparse import lil_matrix
from scipy.sparse import issparse
from scipy.spatial.distance import squareform

glouppe

import sys
sys.path.append("/usr/lib/python2.7/dist-packages/")
sys.path.append("/usr/local/lib/python2.7/dist-packages/")

import string
import re

from joblib import Parallel, delayed
from invenio.dbquery import run_sql
from invenio.bibauthorid_dbinterface import get_title_of_paper

glouppe

import numpy as np

from sklearn.cross_validation import train_test_split
from sklearn.datasets import fetch_mldata
from sklearn.ensemble import RandomForestClassifier
from sklearn.ensemble import ExtraTreesClassifier
from sklearn.ensemble import GradientBoostingClassifier
from rep.estimators import TMVAClassifier

from functools import partial

glouppe

import multiprocessing as mp
import queue
import threading
 
def buffered_gen_mp(source_gen, buffer_size=2):
    """
    Generator that runs a slow source generator in a separate process.
    buffer_size: the maximal number of items to pre-generate (length of the buffer)
    """
    if buffer_size < 2:

glouppe

SMILES,CHEM_ID
COC1:C:C(C2C3=C(CCCC3=O)N(C3:C:C:C(C):C:C:3)C3=C2C(=O)CCC3):C([N+](=O)[O-]):C:C:1OC,Chem_1
O=C1NC(N2CCCCC2)=NC1=CC1:C:C:C:S:1,Chem_2
COC1:C:C(C=C2C(=O)N(C(=O)C3:C:C:C(Cl):C:C:3)N=C2C):C:C(OC):C:1OC,Chem_3
CC#CC(O)(C(=O)OC1CCN(C)CC1)C1CCCCC1,Chem_4
COC1:C:C:C(N=C(C)C(C)=NC2:C:C:C(OC):C:C:2):C:C:1,Chem_5
CSC1:N:C(O):C(C#N):C(C2:C:C:C(C):C:C:2):N:1,Chem_6
CSC1:N:C(C2:C:C:C:C:C:2):N:C(N2CCOCC2):[S+]:1.[IH2+],Chem_7
CC1:C:C:C(C=C2N=C(NN=CC(O)C(O)C(O)CO)NC2=O):C:C:1,Chem_8
CN(C)C(C1=C(O)C(C2:C:C:C:C:C:2)N(C2:C:C:C:C:C:2)C1=O)N1CCOCC1,Chem_9