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choderalab / ensembler

Automated omics-scale protein modeling and simulation setup.
http://ensembler.readthedocs.io/
GNU General Public License v2.0
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Rewriting Spark-MSMSeeder #6

Closed pgrinaway closed 10 years ago

pgrinaway commented 10 years ago

Currently in the process of rewriting Spark-MSMSeeder. Not quite complete yet (and needs tests), but most core functions are now working. I did away with separate code to manage GPUs, and just use CUDA_VISIBLE_DEVICES.

pgrinaway commented 10 years ago

I believe the first pass of this rewrite is basically done; will merge soon in preparation for moving to its own repo, as discussed.