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checking another thing.
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RiesBen committed Sep 18, 2024
1 parent b8c231d commit e625d82
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4 changes: 2 additions & 2 deletions examples/konnektor_example.ipynb
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Expand Up @@ -834,7 +834,7 @@
"source": [
"# first let's generate the Star Network (we will use the networker from above).\n",
"ch_radial_networker = StarNetworkGenerator(\n",
" mappers=mapper, scorer=combo_scorer, n_processes=5\n",
" mappers=mapper, scorer=combo_scorer, n_processes=1\n",
")\n",
"charge_star_network = ch_radial_networker(used_componentes)\n",
"charge_star_network.name = \"Star Network\"\n",
Expand All @@ -843,7 +843,7 @@
"from konnektor.network_planners import RedundantMinimalSpanningTreeNetworkGenerator\n",
"\n",
"ch_rmst_networker = RedundantMinimalSpanningTreeNetworkGenerator(\n",
" mappers=mapper, scorer=combo_scorer, n_processes=5, n_redundancy=2\n",
" mappers=mapper, scorer=combo_scorer, n_processes=1, n_redundancy=2\n",
")\n",
"charge_rmst_network = ch_rmst_networker(used_componentes)\n",
"charge_rmst_network.name = \"Redundant MST Network\""
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Expand Up @@ -24,12 +24,6 @@ def thread_mapping(args) -> list[AtomMapping]:
return a list of scored atom mappings
"""
import functools
import multiprocessing as mult

from gufe import AtomMapper, AtomMapping
from gufe import SmallMoleculeComponent
from tqdm.auto import tqdm

jobID, compound_pairs, mappers, scorer = args

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