choderalab/pymbar-datasets — pull request #5 by kyleabeauchamp (2014-10-05 17:42:31+00:00)
Title: Modified driver scripts to allow dumping data to HDF5 for use as testsystems.

So this is a bit of a hack, but it's the best way can do given that none of us has the time to rewrite these driver scripts. The idea here is that one can set `DUMP_DATA_HDF = True` and then run the driver script, which then saves the dataset in a format that can be used by `pymbar` for integration / regression tests.