LMDB traversal cli #301
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LMDB traversal cli #301
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Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
Signed-off-by: Kin Long Kelvin Lee <[email protected]>
laserkelvin
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melo-gonzo
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Oct 3, 2024
matsciml/datasets/lmdb_cli.py
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| transforms = [] | ||
| if periodic: | ||
| transforms.append(PeriodicPropertiesTransform(radius, adaptive_cutoff)) | ||
| if graph_backend: | ||
| transforms.append(PointCloudToGraphTransform(graph_backend)) | ||
| target_class = ( | ||
| BaseLMDBDataset | ||
| if not dataset_type | ||
| else registry.get_dataset_class(dataset_type) | ||
| ) |
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Could consolidate this common code block into its own function
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Addressed with 16da9d8
|
So window size is used by the running average, so as you're iterating through the dataset it will do (by default) a running average of properties based on 10 of the last samples. It's different from just capping the number of samples to go through, because you might want to sweep through the data and look for outliers. |
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This PR adds a big QoL oriented CLI, which provides some high level functionality for inspecting LMDB datasets.
matsciml.datasets.lmdb_climodule, which houses aclick-based interface with multiple commands that perform various LMDB inspection taskspyproject.tomlto installlmdb_clias a "script", which allows you to access the CLI after installingmatscimlsimply by runninglmdb_cliin the command line.