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Folding@home inspired job distribution using Django, DRF, and GROMACS.

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The Gromppery

Its thirst for simulations cannot be slaked.

Configuration

In gromppery/gromppery/local.py, you can set important local configuration options. An example is provided.

Basic Use

The provided client/gromppery_client.py is a script that can request work from the gromppery, run it, and return it.

It is invoked like:

$ python ~/projects/gromppery/client/gromppery_client.py \
    --gromppery http://localhost:43443/api \
    --scratch ~/sim/ \
    --protein lambda-repressor \
    --iterations 2

This command will connect to a gromppery running at localhost:43443, download a work unit from the project called lambda-repressor, run it in a directory like ~/sim/YEAR-MONTH-DAY-HASH, and return it. Because the --iterations flag is 2, it will then repeat this process again. If --iterations is not specified, it will run until terminated.

Running the Tests

First, you need to build some of the test data.

cd testdata/
make

Then, you'll be able to run the tests normally

./manage.py test

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Folding@home inspired job distribution using Django, DRF, and GROMACS.

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