1.0.2 - 2022.08.08
Removed
Popen
option inmoldrug.utils.run
.
Changed
RuntimeError
bywarnings.warn
when vina run fails and save every error asidx_error.pbz2
. Where idx is the index of the failed individual.- Print format when
mutate
fails inside ofmoldrug.utils.GA
Added
- Print MolDrug's version when the command line is used.