chemicalchecker.util.pipeline.tasks.task_cc_fit

CCFit task.

This task allow submitting HPC jobs which will call the fit method for a specific signature type (e.g. ‘sign1’). It allows submitting jobs for all spaces of the CC at once and passing parameters specific for each of them. We should avoid adding too much logic in here, and simply pass args and kwargs to signatures. The specific signature classes should check that the parameters are OK.

Classes

CCFit

Initialize CC fit task.