Skip to content

Optimize the compute speed for SDFConverter #134

Open
@zhu0619

Description

@zhu0619

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.

Metadata

Metadata

Assignees

No one assigned

    Labels

    enhancementNew feature or requestfeatureAnnotates any PR that adds new features; Used in the release process

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions