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Optimize the compute speed for SDFConverter #134

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zhu0619 opened this issue Jul 17, 2024 · 0 comments
Open

Optimize the compute speed for SDFConverter #134

zhu0619 opened this issue Jul 17, 2024 · 0 comments
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enhancement New feature or request feature Annotates any PR that adds new features; Used in the release process

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@zhu0619
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zhu0619 commented Jul 17, 2024 •
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Is your feature request related to a problem? Please describe.

The logic of SDFConverteris to load sdf entirely by datamol.read_sdf first, and then convert to zarr file.
It is very slow when dealing with larger SDF files.

Describe the solution you'd like

Parallelize the conversion while ensuring the pointers are correctly assigned.

Describe alternatives you've considered

  • Parse and split the SDF file and paraellize the SDF loading process in batches.
@zhu0619 zhu0619 added enhancement New feature or request feature Annotates any PR that adds new features; Used in the release process labels Jul 17, 2024
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