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Add protein-ligand complex testing #61

Merged
merged 8 commits into from
Aug 19, 2024
Merged

Add protein-ligand complex testing #61

merged 8 commits into from
Aug 19, 2024

Commits on Aug 5, 2024

  1. skeleton for protein-ligand complex tests

    @ijpulidos
    ijpulidos committed Aug 5, 2024
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  2. reuse hybrid topology atom list. Optimization

    @ijpulidos
    ijpulidos committed Aug 5, 2024
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Commits on Aug 14, 2024

  1. Short protein-ligand complex test implemented

    @ijpulidos
    ijpulidos committed Aug 14, 2024
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  2. Merge branch 'main' into add-complex-testing

    @ijpulidos
    ijpulidos authored Aug 14, 2024
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  3. [pre-commit.ci] auto fixes from pre-commit.com hooks 

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 14, 2024
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  4. Miscelaneous fixes

    @ijpulidos
    ijpulidos committed Aug 14, 2024
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  5. Marking test as slow for now. Remove TODO.

    @ijpulidos
    ijpulidos committed Aug 14, 2024
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Commits on Aug 16, 2024

  1. Merge branch 'main' into add-complex-testing

    @ijpulidos
    ijpulidos authored Aug 16, 2024
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