Prepare to be Squonked

Squonk Computational Notebook
Our notebook solution for scientists doing computational chemistry and cheminformatics research. Makes it easy to create and execute scientific computational workflows. Targeted at real scientists, not programmers.
Read on for more info.

The Computational Notebook

We believe that the reason computational tools are not being utilised effectively in R&D is not because of a lack of functionality, but a lack of usability. And we don't just mean standard UI/UX type issues, rather usability of the whole work process. The Computational Notebook is a new breed of software designed around that work process.

By integrating best of breed open source and commercial tools and making them interoperable and simple to use, the Squonk Computational Notebook allows scientists to perform complex workflows easily. Not only can you process your data but you can also analyse the results.

As you work a record of what you did is automatically built up, providing strong providence and reproducibility. Controlled sharing facilitates secure collaboration with co-workers.

How Squonk works

Squonk cells with the connections between them

Get your work done

Squonk provides an easy to use, browser based environment that allows you to execute complex computational workflows and analyse the results.

Reproducibility and Traceability

Squonk automatically records details of your operations providing a version controlled record of what you did and allows to re-run the process in a reproducible manner.


Squonk allows to securely share workflows with colleages facilitating team working and collaboration.


Squonk integrates best of breed tools and data, both commercial and open source, and provides the interoperability between these allowing you to choose those that are best suited to your needs and budget.

What can Squonk do?

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