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choderalab / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Add self-hosted GPU workflow in CI #21

Open ijpulidos opened 7 months ago

ijpulidos commented 7 months ago

In order to run larger and more production-like tests we would need to include a self-hosted GHA workflow with GPU support for our CI. Similar to what is done in https://github.com/choderalab/perses

It was brought to our attention that https://salad.com/pricing could be a good option especially in terms of costs.