BorgwardtLab / proteinshake

Protein structure datasets for machine learning.
https://proteinshake.ai
BSD 3-Clause "New" or "Revised" License
99 stars 8 forks source link

Taskfixes #205

Closed cgoliver closed 1 year ago

cgoliver commented 1 year ago

Some improvements to task API

Each task has some new attributes:

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 64.15% and project coverage change: -0.95 :warning:

Comparison is base (d8c67e1) 85.49% compared to head (fa36e36) 84.55%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #205 +/- ## ========================================== - Coverage 85.49% 84.55% -0.95% ========================================== Files 43 43 Lines 1593 1670 +77 ========================================== + Hits 1362 1412 +50 - Misses 231 258 +27 ``` | Flag | Coverage Δ | | |---|---|---| | pytest | `84.55% <64.15%> (-0.95%)` | :arrow_down: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#carryforward-flags-in-the-pull-request-comment) to find out more. | [Impacted Files](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab) | Coverage Δ | | |---|---|---| | [proteinshake/tasks/structure\_search.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL3N0cnVjdHVyZV9zZWFyY2gucHk=) | `93.87% <62.50%> (-3.80%)` | :arrow_down: | | [proteinshake/tasks/binding\_site\_detection.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL2JpbmRpbmdfc2l0ZV9kZXRlY3Rpb24ucHk=) | `85.71% <63.63%> (-9.03%)` | :arrow_down: | | [proteinshake/tasks/enzyme\_class.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL2VuenltZV9jbGFzcy5weQ==) | `85.71% <63.63%> (-5.20%)` | :arrow_down: | | [proteinshake/tasks/gene\_ontology.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL2dlbmVfb250b2xvZ3kucHk=) | `87.83% <63.63%> (-3.47%)` | :arrow_down: | | [proteinshake/tasks/ligand\_affinity.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL2xpZ2FuZF9hZmZpbml0eS5weQ==) | `83.33% <63.63%> (-10.00%)` | :arrow_down: | | [proteinshake/tasks/pfam\_task.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL3BmYW1fdGFzay5weQ==) | `86.84% <63.63%> (-3.79%)` | :arrow_down: | | [proteinshake/tasks/protein\_protein\_interface.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL3Byb3RlaW5fcHJvdGVpbl9pbnRlcmZhY2UucHk=) | `74.35% <63.63%> (-2.31%)` | :arrow_down: | | [proteinshake/tasks/structure\_similarity.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL3N0cnVjdHVyZV9zaW1pbGFyaXR5LnB5) | `90.69% <63.63%> (-6.37%)` | :arrow_down: | | [proteinshake/tasks/structural\_class.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL3N0cnVjdHVyYWxfY2xhc3MucHk=) | `87.17% <66.66%> (-3.73%)` | :arrow_down: | | [proteinshake/tasks/virtual\_screen.py](https://codecov.io/gh/BorgwardtLab/proteinshake/pull/205?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab#diff-cHJvdGVpbnNoYWtlL3Rhc2tzL3ZpcnR1YWxfc2NyZWVuLnB5) | `87.50% <66.66%> (-6.05%)` | :arrow_down: | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=BorgwardtLab)

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