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Precompute cdvae #84

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Precompute cdvae #84

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94ee97e
precompute_cdvae
bmuaz Jan 9, 2024
2529c66
precompute_cdvae
bmuaz Jan 9, 2024
e6cfef1
precompute_cdvae
bmuaz Jan 9, 2024
5191673
Precompute cdvae
bmuaz Jan 10, 2024
536fe21
Merge branch 'IntelLabs:main' into precompute_cdvae
bmuaz Jan 10, 2024
240481c
Union() is removed
bmuaz Jan 10, 2024
b168579
Merge branch 'precompute_cdvae' of https://github.com/bmuaz/matsciml …
bmuaz Jan 10, 2024
7d485fd
adding back Union()
bmuaz Jan 11, 2024
b080631
fix issues in team comments
bmuaz Jan 17, 2024
e2d466b
merge with main
bmuaz Jan 19, 2024
15aa6c2
fix redundant code issues
bmuaz Jan 19, 2024
bc419e8
polished the data_to_cdvae() function
bmuaz Feb 1, 2024
d43e638
removed the unit conversion factors in parse_structure_NOMAD() function
bmuaz Feb 8, 2024
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9 changes: 0 additions & 9 deletions matsciml/common/types.py
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Expand Up @@ -25,15 +25,6 @@
ModelingTypes = tuple(representations)
GraphTypes = tuple(graph_types)

DataType = Union[ModelingTypes]
AbstractGraph = Union[GraphTypes]
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# for a dictionary look up of data
DataDict = dict[str, Union[float, DataType]]
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# for a dictionary of batched data
BatchDict = dict[str, Union[float, DataType, DataDict]]


@dataclass
class Embeddings:
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