Add `exp_ddg_ij_err` as parameter in `AnalysisConfig`

choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home

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Add `exp_ddg_ij_err` as parameter in `AnalysisConfig` #142

Open dotsdl opened 3 years ago

dotsdl commented 3 years ago

Currently, we hardcode the PointEstimate stderr to 0.2 in analysis.__init__.calc_exp_ddg. We would like this to at least be configurable via the AnalysisConfig configuration file by the user.