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CommonAlertsFilters slow when running parallel with large numbers of mols #27

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kkovary opened this issue Nov 14, 2024 · 0 comments · May be fixed by #28
Open

CommonAlertsFilters slow when running parallel with large numbers of mols #27

kkovary opened this issue Nov 14, 2024 · 0 comments · May be fixed by #28

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@kkovary
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kkovary commented Nov 14, 2024

When running the filters on really large numbers of compounds the processing can be slower when running with n_jobs > 1. One solution could be to optionally utilize dm.parallelized_with_batches. In some initial small scale tests this resulted in ~2.5X speed improvements.
@kkovary kkovary linked a pull request Nov 14, 2024 that will close this issue
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calling common alerts filters can do batch parallelization kkovary/medchem
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