📝 fix docs

RUN conda update -n base conda && \

    git clone --depth 1 https://github.com/deepchem/deepchem.git && \

    cd deepchem && \

    . /miniconda/etc/profile.d/conda.sh && \

    bash scripts/install_deepchem_conda.sh gpu && \

    source scripts/install_deepchem_conda.bash 3.7 gpu && \

    conda activate deepchem && \

    pip install -e . && \

    conda clean -afy && \

    (deepchem) root@xxxxxxxxxxxxx:~/mydir# python benchmark.py -d tox21 -m graphconv -s random

From Source

-----------

From source with conda

----------------------

**Installing via these steps will ensure you are installing from the source**.

**Prerequisite**

- Shell: Bash, Zsh, PowerShell

- Conda: >4.6

You can install deepchem in a new conda environment using the conda

commands in :code:`scripts/install_deepchem_conda.sh`. Installing via this

script will ensure that you are **installing from the source**.

The following script requires **conda>=4.4** because it uses the

:code:`conda activate` command.

First, please clone the deepchem repository from GitHub.

    cd deepchem

Then, execute the shell script.

Then, execute the shell script. The shell scripts require two arguments,

**python version** and **gpu/cpu**.

.. code-block:: bash

    bash scripts/install_deepchem_conda.sh cpu

    source scripts/install_deepchem_conda.bash 3.7 cpu

If you want GPU support (we supports only CUDA 10.1):

.. code-block:: bash

    bash scripts/install_deepchem_conda.sh gpu

    source scripts/install_deepchem_conda.bash 3.7 gpu

If you are using the Windows and the PowerShell:

.. code-block:: ps1

    .\scripts\install_deepchem_conda.ps1 cpu

    . .\scripts\install_deepchem_conda.ps1 3.7 cpu

| Before activating deepchem environment, make sure conda has been initialized.

| Check if there is a :code:`(base)` in your command line. 

| Check if there is a :code:`(XXXX)` in your command line. 

| If not, use :code:`conda init <YOUR_SHELL_NAME>` to activate it, then:

.. code-block:: bash

# This script creates the new deepchem enviroment

CMDNAME=`basename $BASH_SOURCE`

CMDNAME=`basename ${BASH_SOURCE:-$0}`

if [ $# -ne 2 ]; then

    echo "Please set two arguments."

    echo "Usage) source $CMDNAME python_version cpu_or_gpu" 1>&2