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Fixed that no nmr_only = Trues were created #95

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Fixed that no nmr_only = Trues were created #95

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11 changes: 11 additions & 0 deletions nmrcraft/utils/general.py
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Original file line number Diff line number Diff line change
Expand Up @@ -27,3 +27,14 @@ def add_rows_metrics(
]
unified_metrics.loc[len(unified_metrics)] = new_row
return unified_metrics


def str2bool(value: str) -> bool:
"""Function converts a string to boolean in a human expected way.

Args (str):
<value> as a string for example 'True' or 'true' or 't'
Returns (bool):
bool corresponding to if the <value> was true or false
"""
return value.lower() in ("yes", "true", "t", "1")
6 changes: 3 additions & 3 deletions scripts/training/multi_targets.py
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Expand Up @@ -12,7 +12,7 @@
from nmrcraft.models.model_configs import model_configs
from nmrcraft.models.models import load_model
from nmrcraft.training.hyperparameter_tune import HyperparameterTuner
from nmrcraft.utils.general import add_rows_metrics
from nmrcraft.utils.general import add_rows_metrics, str2bool

# Setup MLflow
mlflow.set_experiment("Final_results")
Expand All @@ -36,8 +36,8 @@
)
parser.add_argument(
"--include_structural",
type=bool,
default=False,
type=str2bool,
default="False",
help="Handles if structural features will be included or only nmr tensors are used.",
)
parser.add_argument(
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7 changes: 3 additions & 4 deletions scripts/training/one_target.py
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Expand Up @@ -12,7 +12,7 @@
from nmrcraft.models.model_configs import model_configs
from nmrcraft.models.models import load_model
from nmrcraft.training.hyperparameter_tune import HyperparameterTuner
from nmrcraft.utils.general import add_rows_metrics
from nmrcraft.utils.general import add_rows_metrics, str2bool

# Setup MLflow
mlflow.set_experiment("Final_Results")
Expand All @@ -36,8 +36,8 @@
)
parser.add_argument(
"--include_structural",
type=bool,
default=False,
type=str2bool,
default="False",
help="Handles if structural features will be included or only nmr tensors are used.",
)
parser.add_argument(
Expand Down Expand Up @@ -161,7 +161,6 @@ def main(args) -> pd.DataFrame:
# Add arguments
args = parser.parse_args()
args.target = [args.target] # FIXME

unified_metrics = main(args)

# save all the results
Expand Down
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