Merge remote-tracking branch 'remotes/origin/master' into master2

- conda install -c omnia openbabel

- conda install joblib

- conda install h5py

- pip install keras

- pip install six

#- pip install keras

- export KERAS_BACKEND=tensorflow

- conda install -c omnia mdtraj

- pip install tensorflow

* [Contributing to DeepChem](#contributing-to-deepchem)

    * [Code Style Guidelines](#code-style-guidelines)

    * [Documentation Style Guidelines](#documentation-style-guidelines)

    * [Gitter](#gitter)

* [DeepChem Publications](#deepchem-publications)

* [Examples](/examples)

* [About Us](#about-us)

* [joblib](https://pypi.python.org/pypi/joblib)

* [sklearn](https://github.com/scikit-learn/scikit-learn.git)

* [numpy](https://store.continuum.io/cshop/anaconda/)

* [keras](http://keras.io)

* [six](https://pypi.python.org/pypi/six)

* [mdtraj](http://mdtraj.org/)

* [tensorflow](https://www.tensorflow.org/)

   conda install joblib 

   ```

5. `keras`

5. `six`

   ```bash

   pip install keras

   pip install six

   ```

   `deepchem` only supports the `tensorflow` (default) backend for keras.

6. `mdtraj`

   ```bash

    contact your local sysadmin to work out a custom installation. If your

    version of Linux is recent, then the following command will work:

    ```

    conda install -c https://conda.anaconda.org/jjhelmus tensorflow

    pip install tensorflow-gpu

    ```

8. `deepchem`: Clone the `deepchem` github repo:

### Documentation Style Guidelines

DeepChem uses [NumPy style documentation](https://github.com/numpy/numpy/blob/master/doc/HOWTO_DOCUMENT.rst.txt). Please follow these conventions when documenting code, since we use [Sphinx+Napoleon](http://www.sphinx-doc.org/en/stable/ext/napoleon.html) to automatically generate docs on [deepchem.io](deepchem.io).

### Gitter

Join us on gitter at [https://gitter.im/deepchem/Lobby](https://gitter.im/deepchem/Lobby). Probably the easiest place to ask simple questions or float requests for new features.

## DeepChem Publications

1. [Computational Modeling of β-secretase 1 (BACE-1) Inhibitors using

Ligand Based

    """Get an object that iterates over the samples in the dataset.

    Example:

    >>> for x, y, w, id in dataset.itersamples():

    >>>   print(x, y, w, id)

    """

    raise NotImplementedError()

    """Get an object that iterates over the samples in the dataset.

    Example:

    >>> for x, y, w, id in dataset.itersamples():

    >>>   print(x, y, w, id)

    """

    n_samples = self._X.shape[0]

    return ((self._X[i], self._y[i], self._w[i], self._ids[i])

    """Get an object that iterates over the samples in the dataset.

    Example:

    >>> for x, y, w, id in dataset.itersamples():

    >>>   print(x, y, w, id)

    """