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Kortemme-Lab / ddg

A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.
MIT License
18 stars 12 forks source link

Python 3 version #3

Open ajasja opened 5 years ago

ajasja commented 5 years ago

Hi!

Is there a Python 3 version of the repo? If not I can port it, since I'm in the process of using the repo as a Rosetta scientific benchmark.

Best, Ajasja

kylebarlow commented 5 years ago

I think the Python 2 scripts in here are all there is.

If it's not that hard to pull request a conversion to Python3 here, feel free - otherwise we can update this README to point to the new benchmark once that is up and running.

ajasja commented 5 years ago

Thanks, I'm happy to do a PR. It's not that hard and I've got to do it anyway :)

spiderbaby commented 5 years ago

Hi Ajasja,

Thanks for working on the port! I've happily switched to Python 3 a long while ago so let me know if there is anything I can do to help.

All of this was written with the SGE cluster at UCSF in mind. Sergey Lyskov is a good contact for rewriting it to be more general - that's something I never got around to doing properly and he has both thought about and implemented solutions there.

Regards, Shane

On Tue, Apr 30, 2019 at 5:10 PM Ajasja Ljubetič notifications@github.com wrote:

Thanks, I'm happy to do a PR. It's not that hard and I've got to do it anyway :)

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