choderalab / fah-xchem

Tools and infrastructure for automated compound discovery using Folding@home
MIT License
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Add hyperlinked (or hover-over) descriptions of what different columns mean #105

Closed jchodera closed 3 years ago

jchodera commented 3 years ago

We should provide more detail on what the different quantities we compute mean to make it easier to interpret the results, especially for the leaderboard.

jchodera commented 3 years ago

This should also be done for the forward/reverse work distributions and free energy estimates as a function of GEN

jchodera commented 3 years ago

Also:

Sprint 5 science dashboard: I don't understand the difference between the graph and the table: In the graph the best molecule has free energy relative to reference of about -6.5kcal/mol, but in the table -16.8kcal/mol. If I remember right, in the last sprint (4) the figures were identical. Bug or Feature? (edited)

glass-w commented 3 years ago

I think something like a popover would be good for the column headers (e.g. with an "i" icon next to the column header) and a hyperlink for a more in-depth description

glass-w commented 3 years ago

closed in #116