Closed davidegraff closed 2 years ago
This PR includes a couple of bugfixes and adds the capability of pruneing a pool as the optimization proceeds
prune
To use pruning simply add --prune and --prune-min-hit-prob [0-1] to the command line or your config file when running MolPAL
--prune
--prune-min-hit-prob [0-1]
Description
This PR includes a couple of bugfixes and adds the capability of
pruneing a pool as the optimization proceedsNew feature
To use pruning simply add
--pruneand--prune-min-hit-prob [0-1]to the command line or your config file when running MolPALChecklist