choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home
MIT License
6 stars 3 forks source link

Create a "Confident Transformations" tab to display only transformations with stable estimates #109

Closed jchodera closed 3 years ago

jchodera commented 3 years ago

We should create a new "Confident Transformations" tab where we only display those transformations where the free energy estimate from each RUN falls within the 95% or 99.7% CI (2 or 3 standard errors) of the estimate using all data. This will help us rapidly identify stable transformations.

glass-w commented 3 years ago

closed in #118