recycling data >>> /phi/users/kpinto/flame/flame_models/INF-ql-RF/dev/data.pkl
running sumbsmapling
tune_parameters
metric: f1
best parameters: {'class_weight': None, 'max_features': 'sqrt', 'n_estimators': 25, 'oob_score': True, 'random_state': 46}
found in: 2.9187703132629395 seconds
Traceback (most recent call last):
File "/home/kpinto/miniconda3/envs/flame/bin/flame", line 11, in
load_entry_point('flame', 'console_scripts', 'flame')()
File "/phi/users/kpinto/flame/flame/flame_scr.py", line 142, in main
success, results = context.build_cmd(model)
File "/phi/users/kpinto/flame/flame/context.py", line 145, in build_cmd
success, results = build.run(lfile)
File "/phi/users/kpinto/flame/flame/build.py", line 83, in run
results = learn.run()
File "/phi/users/kpinto/flame/flame/learn.py", line 123, in run
self.run_internal()
File "/phi/users/kpinto/flame/flame/learn.py", line 96, in run_internal
success, results = model.validate()
File "/phi/users/kpinto/flame/flame/stats/base_model.py", line 391, in validate
success, results = self.CF_qualitative_validation()
File "/phi/users/kpinto/flame/flame/stats/base_model.py", line 248, in CF_qualitative_validation
self.sensitivity = (self.TP / (self.TP + self.FN))
ZeroDivisionError: division by zero
flame) [kpinto@ulises 0-rdkit-properties]$ flame -c build -e INF-ql-RF -f ../../../1-test/pr-InF-3D-moka.sdf