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Merge branch 'main' of https://github.com/molmod/psiflow
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svandenhaute committed Oct 24, 2023
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Expand Up @@ -26,3 +26,13 @@ Its features include:
Execution is massively parallel and powered by [Parsl](https://parsl-project.org/), a parallel execution library which supports a variety of execution resources including clouds (e.g. Amazon Web Services, Google Cloud), clusters (e.g. SLURM, Torque/PBS, HTCondor) and even container orchestration systems (e.g. Kubernetes).
While psiflow exposes an intuitive and concise API for defining complex molecular simulation workflows in a single Python script, Parsl ensures that the execution is automatically offloaded to arbitrarily large amounts of compute resources.
Visit the [documentation](https://molmod.github.io/psiflow) for more details.

___

Check out this seven-minute introduction to psiflow:

<a href="https://www.youtube.com/watch?v=mQC7VomFjYQ">
<img src="./docs/parslfest_thumbnail.png" alt="drawing" width="450"/>
</a>

which was recorded at [ParslFest 2023](https://parsl-project.org/parslfest/parslfest2023.html)
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