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

# 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 tags/1.1.0 && \

    git checkout tags/1.2.0 && \

    sed -i -- 's/tensorflow$/tensorflow-gpu/g' scripts/install_deepchem_conda.sh && \

    bash scripts/install_deepchem_conda.sh root && \

    pip install tensorflow-gpu==1.0.1 && \

[![Coverage Status](https://coveralls.io/repos/github/deepchem/deepchem/badge.svg?branch=master)](https://coveralls.io/github/deepchem/deepchem?branch=master)

DeepChem aims to provide a high quality open-source toolchain that

democratizes the use of deep-learning in drug discovery, materials science, and quantum

chemistry. DeepChem is a package developed by the [Pande group](https://pande.stanford.edu/) at

Stanford and originally created by [Bharath Ramsundar](http://rbharath.github.io/).

democratizes the use of deep-learning in drug discovery, materials science, and quantum chemistry.

### Table of contents:

4. [Atomic Convolutional Networks for Predicting Protein-Ligand Binding Affinity](https://arxiv.org/abs/1703.10603)

## About Us

DeepChem is a package from the [Pande group](https://pande.stanford.edu/) at Stanford with significant contributions from many academic and industrial collaborators. In particular, DeepChem is possible due to notable contributions from many people including Peter Eastman, Evan Feinberg, Joe Gomes, Karl Leswing, Vijay Pande, Aneesh Pappu, Bharath Ramsundar and Michael Wu (alphabetical ordering).  DeepChem was originally created by [Bharath Ramsundar](http://rbharath.github.io/) with encouragement and guidance from [Vijay Pande](https://pande.stanford.edu/).

DeepChem is possible due to notable contributions from many people including Peter Eastman, Evan Feinberg, Joe Gomes, Karl Leswing, Vijay Pande, Aneesh Pappu, Bharath Ramsundar and Michael Wu (alphabetical ordering).  DeepChem was originally created by [Bharath Ramsundar](http://rbharath.github.io/) with encouragement and guidance from [Vijay Pande](https://pande.stanford.edu/).

DeepChem started as a [Pande group](https://pande.stanford.edu/) project at Stanford, and is now developed by many academic and industrial collaborators. DeepChem actively encourages new academic and industrial groups to contribute!

## Corporate Supporters

DeepChem is supported by a number of corporate partners who use DeepChem to solve interesting problems.

### Release

- Tag current master with new release version

- Look at github issues merged since last release

- Bump Dockerfile Version

### Post-release

- Update the docker images

  - sudo docker build -f Dockerfile .

  - sudo docker image list

  - nvidia-docker run -i -t <IMAGE ID> // smoke test everythin

  - sudo docker tag <IMAGE ID> deepchemio/deepchem:latest

  - // smoke test everything

  - nvidia-docker run -i -t \<IMAGE ID\>

  - python scripts/detect_devices.py // verify gpu is enabled

  - cd examples; python benchmark.py -d tox21

  - sudo docker tag \<IMAGE ID\> deepchemio/deepchem:latest

  - sudo docker push deepchemio/deepchem:latest

  - sudo docker tag <IMAGE ID> deepchemio/deepchem:<version>

  - sudo docker tag \<IMAGE ID\> deepchemio/deepchem:<version>

  - sudo docker push deepchemio/deepchem:<version>

- Post on Gitter

About Us

--------

DeepChem is developed by the Pande_ group at Stanford. DeepChem was

originally created by `Bharath Ramsundar <https://rbharath.github.io>`_ and

has grown through the contributions of a number of undergraduate, graduate, and

postdoctoral researchers working with the Pande lab. Development and

documentation live on Github_. 

DeepChem is possible due to notable contributions from many people including Peter Eastman, Evan Feinberg, Joe Gomes, Karl Leswing, Vijay Pande, Aneesh Pappu, Bharath Ramsundar and Michael Wu (alphabetical ordering). DeepChem was originally created by `Bharath Ramsundar <https://rbharath.github.io>`_ with encouragement and guidance from Vijay Pande.

DeepChem started as a Pande group project at Stanford, and is now developed by many academic and industrial collaborators. DeepChem actively encourages new academic and industrial groups to contribute!

Licensing and Commercial Uses