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Update environment.yml #39

Merged
merged 14 commits into from
May 8, 2024
Merged

Update environment.yml #39

merged 14 commits into from
May 8, 2024

Commits on May 7, 2024

  1. Update environment.yml

    @richardjgowers
    richardjgowers committed May 7, 2024
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  2. remove AtomMappingScorer references for now 

    will still ducktype fine

this isn't in a released gufe, so can't use (yet)
    @richardjgowers
    richardjgowers committed May 7, 2024
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  3. fixup import of diversityclusterer

    @richardjgowers
    richardjgowers committed May 7, 2024
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  4. fixup vis code

    @richardjgowers
    richardjgowers committed May 7, 2024
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  5. tweaks to docstring of get_edge_failure_robustness

    @richardjgowers
    richardjgowers committed May 7, 2024
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  6. fix seed in test_get_edge_failure_robustness

    @richardjgowers
    richardjgowers committed May 7, 2024
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  7. can use built in is_connected method of LigandNetwork

    @richardjgowers
    richardjgowers committed May 7, 2024
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  8. can simplify failure robustness mean call 

    np mean on list of bools gives expected answer
    @richardjgowers
    richardjgowers committed May 7, 2024
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  9. couple of notebook fixups

    @richardjgowers
    richardjgowers committed May 7, 2024
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  10. unpack pytest parametrize better

    @richardjgowers
    richardjgowers committed May 7, 2024
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  11. fixup ofe_colors usage

    @richardjgowers
    richardjgowers committed May 7, 2024
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  12. fixup ofe_colors usage

    @richardjgowers
    richardjgowers committed May 7, 2024
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Commits on May 8, 2024

  1. skip draw network cells in nbval 

    these often timeout
    @richardjgowers
    richardjgowers committed May 8, 2024
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  2. mark some tests as flaky

    @richardjgowers
    richardjgowers committed May 8, 2024
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