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Meredith-Lab
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volcalc
volcalc: Calculate Volatility of Chemical Compounds
https://meredith-lab.github.io/volcalc/
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Prep for version 2 release
#68
Closed
Aariq
closed
11 months ago
Aariq
commented
11 months ago
Updates NEWS to be more clear about breaking changes in this version
Removes
save_compound_mol()
and its tests entirely
Updates package description and function documentation
Updates citation from "in prep" to "in review"
Renames
volatility
column in output of
calc_vol()
to
rvi
save_compound_mol()
and its tests entirelyvolatility
column in output ofcalc_vol()
torvi