In this tutorial I will walk through how to sign up for Google Cloud Platform and run a DeepChem enabled jupyter notebook.
To begin to to https://cloud.google.com and follow the signup wizard. Note you must put in a credit card but the free tier is $300 of compute which is much more than you will spend in a single weekend.
Now it is time to spin up our virtual machine!
It might take a little bit for compute engine to “Get Ready”
The default instance is a little small to run DeepChem so we have to make some changes.
- 4 vCPU
- Ubuntu Linux 16.04 w/ 30GB disk
- Allow HTTP Traffic
- Allow HTTPS Traffic
- Add SSH key now if you wish
After the image comes up SSH into it using the web-terminal.
Now that we have access to the machine we will install DeepChem and start a jupyter notebook that we can access through our browser.
#!/bin/bash wget https://repo.continuum.io/miniconda/Miniconda3-latest-Linux-x86_64.sh -O anaconda.sh; bash anaconda.sh -b echo 'export PATH="$HOME/miniconda3/bin:$PATH"' >> ~/.bashrc source ~/.bashrc git clone https://github.com/deepchem/deepchem.git cd deepchem bash scripts/install_deepchem_conda.sh deepchem source activate deepchem python setup.py develop export JUPYTER=`which jupyter` sudo $JUPYTER notebook --ip=0.0.0.0 --port=80 --allow-root
With that done you can now run through the notebooks by going in your browser to the external IP shown in google with the token showing up in your terminal!