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add ANI2x test against original implementation #294

Merged
merged 10 commits into from
Oct 23, 2024
Merged

add ANI2x test against original implementation #294

merged 10 commits into from
Oct 23, 2024

Commits on Oct 22, 2024

  1. add ANI2x test agains original implementation

    @wiederm
    wiederm committed Oct 22, 2024
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  2. test will fail at GH

    @wiederm
    wiederm committed Oct 22, 2024
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  3. as_tuple is no longer a valid argument for mask.nonzero

    @wiederm
    wiederm committed Oct 22, 2024
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  4. also here

    @wiederm
    wiederm committed Oct 22, 2024
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Commits on Oct 23, 2024

  1. making sure metrics are reset

    @wiederm
    wiederm committed Oct 23, 2024
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  2. addressing chris' comments

    @wiederm
    wiederm committed Oct 23, 2024
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  3. Merge branch 'main' into ref-add-ani2x-test

    @wiederm
    wiederm authored Oct 23, 2024
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  4. please the linter

    @wiederm
    wiederm committed Oct 23, 2024
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  5. Merge branch 'ref-add-ani2x-test' of https://github.com/choderalab/mo… 

    …delforge into ref-add-ani2x-test
    @wiederm
    wiederm committed Oct 23, 2024
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  6. update checkpoint file

    @wiederm
    wiederm committed Oct 23, 2024
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