“I practice fashions, analyze information and create dashboards — why ought to I care about Containers?”
Many people who find themselves new to the world of knowledge science ask themselves this query. However think about you could have skilled a mannequin that runs completely in your laptop computer. Nonetheless, error messages hold popping up within the cloud when others entry it — for instance as a result of they’re utilizing totally different library variations.
That is the place containers come into play: They permit us to make machine studying fashions, information pipelines and improvement environments secure, transportable and scalable — no matter the place they’re executed.
Let’s take a more in-depth look.
Desk of Content materials
1 — Containers vs. Virtual Machines: Why containers are more flexible than VMs
2 — Containers & Data Science: Do I really need Containers? And 4 reasons why the answer is yes.
3 — First Practice, then Theory: Container creation even without much prior knowledge
4 — Your 101 Cheatsheet: The most important Docker commands & concepts at a glance
Final Thoughts: Key takeaways as a data scientist
Where Can You Continue Learning?
1 — Containers vs. Digital Machines: Why containers are extra versatile than VMs
Containers are light-weight, remoted environments. They comprise purposes with all their dependencies. Additionally they share the kernel of the host working system, making them quick, transportable and resource-efficient.
I’ve written extensively about digital machines (VMs) and virtualization in ‘Virtualization & Containers for Data Science Newbiews’. However a very powerful factor is that VMs simulate full computer systems and have their very own working system with their very own kernel on a hypervisor. Which means they require extra assets, but in addition provide higher isolation.
Each containers and VMs are virtualization applied sciences.
Each make it attainable to run purposes in an remoted setting.
However within the two descriptions, you may also see the three most essential variations:
- Structure: Whereas every VM has its personal working system (OS) and runs on a hypervisor, containers share the kernel of the host working system. Nonetheless, containers nonetheless run in isolation from one another. A hypervisor is the software program or firmware layer that manages VMs and abstracts the working system of the VMs from the bodily {hardware}. This makes it attainable to run a number of VMs on a single bodily server.
- Useful resource consumption: As every VM accommodates a whole OS, it requires a variety of reminiscence and CPU. Containers, then again, are extra light-weight as a result of they share the host OS.
- Portability: You must customise a VM for various environments as a result of it requires its personal working system with particular drivers and configurations that depend upon the underlying {hardware}. A container, then again, will be created as soon as and runs anyplace a container runtime is accessible (Linux, Home windows, cloud, on-premise). Container runtime is the software program that creates, begins and manages containers — the best-known instance is Docker.
You possibly can experiment sooner with Docker — whether or not you’re testing a brand new ML mannequin or organising an information pipeline. You possibly can package deal every part in a container and run it instantly. And also you don’t have any “It really works on my machine”-problems. Your container runs the identical in all places — so you may merely share it.
2 — Containers & Knowledge Science: Do I really want Containers? And 4 the reason why the reply is sure.
As an information scientist, your important activity is to investigate, course of and mannequin information to achieve precious insights and predictions, which in flip are essential for administration.
After all, you don’t have to have the identical in-depth data of containers, Docker or Kubernetes as a DevOps Engineer or a Web site Reliability Engineer (SRE). However, it’s price having container data at a fundamental stage — as a result of these are 4 examples of the place you’ll come into contact with it eventually:
Mannequin deployment
You’re coaching a mannequin. You not solely wish to use it regionally but in addition make it obtainable to others. To do that, you may pack it right into a container and make it obtainable through a REST API.
Let’s have a look at a concrete instance: Your skilled mannequin runs in a Docker container with FastAPI or Flask. The server receives the requests, processes the information and returns ML predictions in real-time.
Reproducibility and simpler collaboration
ML fashions and pipelines require particular libraries. For instance, if you wish to use a deep studying mannequin like a Transformer, you want TensorFlow or PyTorch. If you wish to practice and consider traditional machine studying fashions, you want Scikit-Be taught, NumPy and Pandas. A Docker container now ensures that your code runs with precisely the identical dependencies on each pc, server or within the cloud. You may also deploy a Jupyter Pocket book setting as a container in order that different individuals can entry it and use precisely the identical packages and settings.
Cloud integration
Containers embrace all packages, dependencies and configurations that an software requires. They subsequently run uniformly on native computer systems, servers or cloud environments. This implies you don’t need to reconfigure the setting.
For instance, you write an information pipeline script. This works regionally for you. As quickly as you deploy it as a container, you may ensure that it should run in precisely the identical approach on AWS, Azure, GCP or the IBM Cloud.
Scaling with Kubernetes
Kubernetes lets you orchestrate containers. However extra on that under. In the event you now get a variety of requests on your ML mannequin, you may scale it mechanically with Kubernetes. Which means extra cases of the container are began.
3 — First Follow, then Concept: Container creation even with out a lot prior data
Let’s check out an instance that anybody can run by with minimal time — even for those who haven’t heard a lot about Docker and containers. It took me half-hour.
We’ll arrange a Jupyter Pocket book inside a Docker container, creating a transportable, reproducible Knowledge Science setting. As soon as it’s up and working, we are able to simply share it with others and be certain that everybody works with the very same setup.
0 — Set up Docker Dekstop and create a venture listing
To have the ability to use containers, we want Docker Desktop. To do that, we download Docker Desktop from the official website.
Now we create a brand new folder for the venture. You are able to do this instantly within the desired folder. I do that through Terminal — on Home windows with Home windows + R and open CMD.
We use the next command:

1. Create a Dockerfile
Now we open VS Code or one other editor and create a brand new file with the identify ‘Dockerfile’. We save this file with out an extension in the identical listing. Why doesn’t it want an extension?
We add the next code to this file:
# Use the official Jupyter pocket book picture with SciPy
FROM jupyter/scipy-notebook:newest
# Set the working listing contained in the container
WORKDIR /dwelling/jovyan/work
# Copy all native recordsdata into the container
COPY . .
# Begin Jupyter Pocket book with out token
CMD ["start-notebook.sh", "--NotebookApp.token=''"]
We have now thus outlined a container setting for Jupyter Pocket book that’s based mostly on the official Jupyter SciPy Pocket book picture.
First, we outline with FROM
on which base picture the container is constructed. jupyter/scipy-notebook:newest
is a preconfigured Jupyter pocket book picture and accommodates libraries corresponding to NumPy, SiPy, Matplotlib or Pandas. Alternatively, we may additionally use a unique picture right here.
With WORKDIR
we set the working listing inside the container. /dwelling/jovyan/work
is the default path utilized by Jupyter. Consumer jovyan
is the default person in Jupyter Docker pictures. One other listing may be chosen — however this listing is greatest follow for Jupyter containers.
With COPY . .
we copy all recordsdata from the native listing — on this case the Dockerfile, which is situated within the jupyter-docker
listing — to the working listing /dwelling/jovyan/work
within the container.
With CMD [“start-notebook.sh”, “ — NotebookApp.token=‘’’”]
we specify the default begin command for the container, specify the beginning script for Jupyter Pocket book and outline that the pocket book is began with no token — this permits us to entry it instantly through the browser.
2. Create the Docker picture
Subsequent, we’ll construct the Docker picture. Be sure you have the beforehand put in Docker desktop open. We now return to the terminal and use the next command:
cd jupyter-docker
docker construct -t my-jupyter .
With cd jupyter-docker
we navigate to the folder we created earlier. With docker construct
we create a Docker picture from the Dockerfile. With -t my-jupyter
we give the picture a reputation. The dot signifies that the picture will probably be constructed based mostly on the present listing. What does that imply? Be aware the house between the picture identify and the dot.
The Docker picture is the template for the container. This picture accommodates every part wanted for the applying such because the working system base (e.g. Ubuntu, Python, Jupyter), dependencies corresponding to Pandas, Numpy, Jupyter Pocket book, the applying code and the startup instructions. Once we “construct” a Docker picture, which means Docker reads the Dockerfile and executes the steps that we now have outlined there. The container can then be began from this template (Docker picture).
We will now watch the Docker picture being constructed within the terminal.

We use docker pictures
to examine whether or not the picture exists. If the output my-jupyter
seems, the creation was profitable.
docker pictures
If sure, we see the information for the created Docker picture:

3. Begin Jupyter container
Subsequent, we wish to begin the container and use this command to take action:
docker run -p 8888:8888 my-jupyter
We begin a container with docker run
. First, we enter the particular identify of the container that we wish to begin. And with -p 8888:8888
we join the native port (8888) with the port within the container (8888). Jupyter runs on this port. I don’t perceive.
Alternatively, you may also carry out this step in Docker desktop:

4. Open Jupyter Pocket book & create a take a look at pocket book
Now we open the URL [http://localhost:8888](http://localhost:8888/) within the browser. You must now see the Jupyter Pocket book interface.
Right here we’ll now create a Python 3 pocket book and insert the next Python code into it.
import numpy as np
import matplotlib.pyplot as plt
x = np.linspace(0, 10, 100)
y = np.sin(x)
plt.plot(x, y)
plt.title("Sine Wave")
plt.present()
Operating the code will show the sine curve:

5. Terminate the container
On the finish, we finish the container both with ‘CTRL + C’ within the terminal or in Docker Desktop.
With docker ps
we are able to examine within the terminal whether or not containers are nonetheless working and with docker ps -a
we are able to show the container that has simply been terminated:

6. Share your Docker picture
In the event you now wish to add your Docker picture to a registry, you are able to do this with the next command. It will add your picture to Docker Hub (you want a Docker Hub account for this). You may also add it to a non-public registry of AWS Elastic Container, Google Container, Azure Container or IBM Cloud Container.
docker login
docker tag my-jupyter your-dockerhub-name/my-jupyter:newest
docker push dein-dockerhub-name/mein-jupyter:newest
In the event you then open Docker Hub and go to your repositories in your profile, the picture ought to be seen.
This was a quite simple instance to get began with Docker. If you wish to dive just a little deeper, you may deploy a skilled ML mannequin with FastAPI through a container.
4 — Your 101 Cheatsheet: An important Docker instructions & ideas at a look
You possibly can truly consider a container like a transport container. No matter whether or not you load it onto a ship (native pc), a truck (cloud server) or a practice (information middle) — the content material all the time stays the identical.
An important Docker phrases
- Container: Light-weight, remoted setting for purposes that accommodates all dependencies.
- Docker: The most well-liked container platform that means that you can create and handle containers.
- Docker Picture: A read-only template that accommodates code, dependencies and system libraries.
- Dockerfile: Textual content file with instructions to create a Docker picture.
- Kubernetes: Orchestration device to handle many containers mechanically.
The essential ideas behind containers
- Isolation: Every container accommodates its personal processes, libraries and dependencies
- Portability: Containers run wherever a container runtime is put in.
- Reproducibility: You possibly can create a container as soon as and it runs precisely the identical in all places.
Probably the most fundamental Docker instructions
docker --version # Verify if Docker is put in
docker ps # Present working containers
docker ps -a # Present all containers (together with stopped ones)
docker pictures # Checklist of all obtainable pictures
docker data # Present system details about the Docker set up
docker run hello-world # Begin a take a look at container
docker run -d -p 8080:80 nginx # Begin Nginx within the background (-d) with port forwarding
docker run -it ubuntu bash # Begin interactive Ubuntu container with bash
docker pull ubuntu # Load a picture from Docker Hub
docker construct -t my-app . # Construct a picture from a Dockerfile
Closing Ideas: Key takeaways as an information scientist
👉 With Containers you may remedy the “It really works on my machine” drawback. Containers be certain that ML fashions, information pipelines, and environments run identically in all places, impartial of OS or dependencies.
👉 Containers are extra light-weight and versatile than digital machines. Whereas VMs include their very own working system and devour extra assets, containers share the host working system and begin sooner.
👉 There are three key steps when working with containers: Create a Dockerfile to outline the setting, use docker construct to create a picture, and run it with docker run — optionally pushing it to a registry with docker push.
After which there’s Kubernetes.
A time period that comes up loads on this context: An orchestration device that automates container administration, making certain scalability, load balancing and fault restoration. That is notably helpful for microservices and cloud purposes.
Earlier than Docker, VMs had been the go-to resolution (see extra in ‘Virtualization & Containers for Data Science Newbiews’.) VMs provide sturdy isolation, however require extra assets and begin slower.
So, Docker was developed in 2013 by Solomon Hykes to resolve this drawback. As a substitute of virtualizing total working methods, containers run independently of the setting — whether or not in your laptop computer, a server or within the cloud. They comprise all the required dependencies in order that they work constantly in all places.
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