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Implement Pytest testing framework #8

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11 of 15 tasks
Tonylac77 opened this issue Mar 12, 2024 · 0 comments
Open
11 of 15 tasks

Implement Pytest testing framework #8

Tonylac77 opened this issue Mar 12, 2024 · 0 comments
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@Tonylac77
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feature New feature or request
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DockM8 V2

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@Tonylac77
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Tonylac77 commented Mar 12, 2024 •
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  • Provide test files (.sdf library and .pdb file)
  • organise test files better
  • Sub sections
    • docking_postprocessing
    • library_preparation
    • pocket_finding
    • protein_preparation
    • config parsing
    • docking
    • clustering functions
    • clustering metrics
    • consensus
    • scoring functions
    • performance / postprocessing
  • Setup pytest to automatically run DockM8 and check produced files
    Be mindful of computation time on GitHub Actions (may be costly)
@Tonylac77 Tonylac77 added the feature New feature or request label Mar 12, 2024
@Tonylac77 Tonylac77 added this to the DockM8 V2 milestone Mar 12, 2024
@Tonylac77 Tonylac77 self-assigned this Mar 12, 2024
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