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make the hydrophobic space atom centered value per atom and not per heavy atom
enhancement
#16
opened Aug 5, 2016 by
UnixJunkie
add an option to ignore hydrogen atoms
experiment needed
research
WIP
#7
opened Mar 8, 2016 by
UnixJunkie
try reparametrisation to optomize scaffold diversity
enhancement
experiment needed
research
#4
opened Oct 19, 2015 by
UnixJunkie
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