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an open collective & full-stack framework for chemistry research

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Our mission

Simmate's primary goal is to build a community that openly shares chemistry data and infrastructure. We believe that energy is wasted and research is slowed when academics repeatedly perform the same calculations in isolation, so we sought to build a platform for open collaboration. This is why in our public website {% if SHOW_FINANCES %} you only pay for computational resources that are not your own, and {% endif %} all workflow results are openly accessible to everyone. However, for the majority of researchers that work with confidential data, we still wish to collaborate through building the chemistry infrastructure together. For this reason, 100% of our codebase is open-source, and it is free to setup you own private server.


All data is free & open

Easy, unrestricted access to data is what enables new ideas and great science. This is because we as researchers must understand what has been done before in order to truly innovate and do something new next.


Compute is scalable & collaborative

The type of computational resources that researchers have access to varies greatly depending on if you are in academia, industry, or even just a hobbyist. Our infrastructure scales across the cloud, HPC, & personal computers to carryout calculations together.

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Earnings are accessible to anyone*

You can earn when you contribute computer resources for others to use. And to make everything as transparent & fair as possible, we make our financial data public - so you can trust that the science is coming first.

* payouts depend on several factors, such the demand created by other users and how much compute you provided. Make sure you read and understand our pay distribution strategy .

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Popular chemistry datasets are built-in

The most frequently cited datasets in the chemistry community are integrated into Simmate -- meaning Simmate serves as a one-stop-shop for you to search accross all datasets. Easily bring data into larger projects in a clean and standardized way.

* We can only redistribute data when the original provider's licensing allows it. For this reason, some datasets can only be used by locally installing Simmate & downloading the data *directly* from the third-party provider.


Workflows are built on trusted software

There is an endless list of software to consider for the many types of chemistry calculations out there. Simmate simplifies the use & scaling of other popular applications in computational chemistry literature. Explore our library of workflows or leverage our toolkit to build your own.


The codebase is 100% open-source

Simmate is built on top of other open-source giants like PyMatGen, RDkit, Django, Postgres, and htmx. This makes every part of our software completely free to install and use. Set up your own server or collaborate here with us in the public website.


To learn more about Simmate's team and history, visit our About page.

To learn more about Simmate's framework and codebase, visit our our Documentation.

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