Update joback estimator script to run in parallel

CalebBell · Nov 11, 2024 · 097c250 · 097c250
1 parent 122dcf9
commit 097c250
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/dev/predictions/generate_joback_predictions.py b/dev/predictions/generate_joback_predictions.py
@@ -54,7 +54,7 @@ def generate_line(CASi):
 
 
 
-retVals = Parallel()(delayed(generate_line)(CASi) for CASi in sorted(pubchem_db.CAS_index))
+retVals = Parallel(n_jobs=16, batch_size=500, backend='multiprocessing')(delayed(generate_line)(CASi) for CASi in sorted(pubchem_db.CAS_index))
 for l in retVals:
     if l is not False:
         lines.append(l)