MACEReplayFinetuningSettings¶
Included in QATK.MLFF
- class MACEReplayFinetuningSettings(replay_data_filepath, number_of_samples=None, replay_subselect_method=None, replay_filtering_type=None)¶
Initialize replay fine-tuning settings.
- Parameters:
replay_data_filepath (str) – Path to the replay data file (.xyz format) - required.
number_of_samples (int) – Number of samples to select from replay data.
replay_subselect_method (str) – Method for subselecting samples. Possible values are MLParameterOptions.REPLAY_SUBSELECT options (MLParameterOptions.REPLAY_SUBSELECT.FPS, MLParameterOptions.REPLAY_SUBSELECT.RANDOM) or strings. Default: MLParameterOptions.REPLAY_SUBSELECT.RANDOM
replay_filtering_type (str) – Type of filtering to apply on the configurations based on elements. Possible values are MLParameterOptions.REPLAY_FILTERING options (MLParameterOptions.REPLAY_FILTERING.NONE, MLParameterOptions.REPLAY_FILTERING.COMBINATIONS, MLParameterOptions.REPLAY_FILTERING.EXCLUSIVE, MLParameterOptions.REPLAY_FILTERING.INCLUSIVE) or strings. Default: MLParameterOptions.REPLAY_FILTERING.COMBINATIONS
- nlinfo()¶
- Returns:
The nlinfo.
- Return type:
dict
- numberOfSamples()¶
- Returns:
Number of samples to select from replay data
- Return type:
int
- replayDataFilepath()¶
- Returns:
Path to the replay data file
- Return type:
str
- replayFilteringType()¶
- Returns:
Type of filtering to apply on the configurations based on elements.
- Return type:
str
- replaySubselectMethod()¶
- Returns:
Subselection method
- Return type:
str
- requiresFoundationModel()¶
Check if configuration requires a foundation model.
- Returns:
True if foundation model is required, False otherwise
- Return type:
bool
- uniqueString()¶
Return a unique string representing the state of the object.