choderalab/assaytools

What units should we be using for deltaG?

sonyahanson opened this issue · 0 comments

There was some confusion during the constant pH grant process about what units we are using here for deltaG. Til now we've been consistently using John's k_B*T units (which do seem to actually be R*T, see below). I'm not clear however, how we want to proceed with changing/confirming this within assaytools as a whole. Should we change everything to kcal/mol? or should we use kJ/mol (SI units)? or should we provide options for the user to output the unit they find most informative?

Slack screenshot:
units