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Checkpoint Path Check Bugfix #219

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merged 7 commits into from
May 17, 2024
Merged

Checkpoint Path Check Bugfix #219

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36c8479
Merge branch 'main' of https://github.com/IntelLabs/matsciml
melo-gonzo May 3, 2024
c23ddfb
Merge branch 'main' of https://github.com/IntelLabs/matsciml
melo-gonzo May 6, 2024
7035053
Merge branch 'main' of https://github.com/IntelLabs/matsciml
melo-gonzo May 8, 2024
ad9051d
Merge branch 'main' of https://github.com/melo-gonzo/matsciml
melo-gonzo May 8, 2024
3f2679c
Merge branch 'main' of https://github.com/IntelLabs/matsciml into main
melo-gonzo May 13, 2024
e839ce0
Merge branch 'main' of https://github.com/IntelLabs/matsciml
melo-gonzo May 15, 2024
d418d81
fix naming of checkpoint check function
melo-gonzo May 17, 2024
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8 changes: 4 additions & 4 deletions matsciml/interfaces/ase/base.py
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Original file line number Diff line number Diff line change
Expand Up @@ -68,7 +68,7 @@ def recursive_type_cast(
return data_dict


def __checkpoint_conversion_exist_check(ckpt_path: str | Path) -> Path:
def _checkpoint_conversion_exist_check(ckpt_path: str | Path) -> Path:
"""Standardizes and checks for checkpoint path existence."""
if isinstance(ckpt_path, str):
ckpt_path = Path(ckpt_path)
Expand Down Expand Up @@ -261,22 +261,22 @@ def calculate(
def from_pretrained_force_regression(
cls, ckpt_path: str | Path, *args, **kwargs
) -> MatSciMLCalculator:
ckpt_path = __checkpoint_conversion_exist_check(ckpt_path)
ckpt_path = _checkpoint_conversion_exist_check(ckpt_path)
task = ForceRegressionTask.load_from_checkpoint(ckpt_path)
return cls(task, *args, **kwargs)

@classmethod
def from_pretrained_gradfree_task(
cls, ckpt_path: str | Path, *args, **kwargs
) -> MatSciMLCalculator:
ckpt_path = __checkpoint_conversion_exist_check(ckpt_path)
ckpt_path = _checkpoint_conversion_exist_check(ckpt_path)
task = GradFreeForceRegressionTask.load_from_checkpoint(ckpt_path)
return cls(task, *args, **kwargs)

@classmethod
def from_pretrained_scalar_task(
cls, ckpt_path: str | Path, *args, **kwargs
) -> MatSciMLCalculator:
ckpt_path = __checkpoint_conversion_exist_check(ckpt_path)
ckpt_path = _checkpoint_conversion_exist_check(ckpt_path)
task = ScalarRegressionTask.load_from_checkpoint(ckpt_path)
return cls(task, *args, **kwargs)
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