Code cleanup #6
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Code cleanup #6
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sampling models that have extra parameters
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Ah, I should add that I've also added a try/except block on the pymbar reweighting bits, since some of those cross-model proposals result in all-NaN energies, which causes a numpy routine called by pymbar to throw a |
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Good catch on the Did you actually get the HDF5 backend to work? For some reason, I never managed to get that to work, though I realize I likely wasn't using a conda-installed version of |
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I've had good success with the HDF backend, although I haven't tried during the last year. |
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The HDF5 backend seems to be working for me. (using the latest git version of pymc) |
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Awesome!
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I think this is good to merge, then we can move on to the other issues. |
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This PR has a few changes:
prepare_databasefunction into several smaller functions*There are some issues regarding cross-model proposals, discussing in #5, but I think are more appropriate for a future PR.