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v0.4.2

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@maabuu maabuu released this 07 May 12:02
· 31 commits to main since this release
v0.4.2
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Learn about vigilant mode.

Runner:

  • Add parallelization. Use multiple processes to run multiple files and/or chunks of molecules in parallel. Keep using single threaded execution by setting max-workers=0 in the API or --max-workers=0 in the CLI.

Output (CLI and API):

  • Leave molecule name empty if no molecule name provided.
  • Add molecule index (position in SDF file) to output table.
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