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"""GuacaMol baselines training utilities."""
from dataclasses import dataclass, field
from typing import Any, Dict
from ..core import TrainingPipeline, TrainingPipelineArguments
[docs]class GuacaMolBaselinesTrainingPipeline(TrainingPipeline):
"""GuacaMol Baselines training pipelines."""
[docs] def train( # type: ignore
self,
training_args: Dict[str, Any],
model_args: Dict[str, Any],
dataset_args: Dict[str, Any],
) -> None:
"""Generic training function for GuacaMol Baselines training.
Args:
training_args: training arguments passed to the configuration.
model_args: model arguments passed to the configuration.
dataset_args: dataset arguments passed to the configuration.
Raises:
NotImplementedError: the generic trainer does not implement the pipeline.
"""
raise NotImplementedError
[docs]@dataclass
class GuacaMolDataArguments(TrainingPipelineArguments):
"""Arguments related to data loading."""
__name__ = "dataset_args"
train_smiles_filepath: str = field(
metadata={"help": "Path of SMILES file for Training."}
)
test_smiles_filepath: str = field(
metadata={"help": "Path of SMILES file for Validation."}
)
[docs]@dataclass
class GuacaMolSavingArguments(TrainingPipelineArguments):
"""Saving arguments related to GuacaMol trainer."""
__name__ = "saving_args"
model_filepath: str = field(metadata={"help": "Path to the model file."})
model_config_filepath: str = field(
metadata={"help": "Path to the model config file."}
)