drewnutt / open_combind

Open-source docking pipeline leveraging pairwise statistics
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Fixes Memory/Runtime issues with MCSS calculations #19

Closed drewnutt closed 1 year ago

drewnutt commented 1 year ago

Description

Fixes the memory/runtime issue with MCSS calculation by setting a timeout of 7 minutes for the calculation of MCSS. Further addresses more memory problems that occur with multiple MCSS calculations happening at once with multiprocessing by limiting the number of concurrent processes. Added documentation for MCSS functions and removed unused functions.

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