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migrate perl scripts #61

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5 of 6 tasks
Tracked by #55
ggutierrez-sunbright opened this issue Dec 23, 2023 · 0 comments
Open
5 of 6 tasks
Tracked by #55

migrate perl scripts #61

ggutierrez-sunbright opened this issue Dec 23, 2023 · 0 comments
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rdock-utils
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rdock-utils migra...

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ggutierrez-sunbright commented Dec 23, 2023 •
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This was referenced Dec 23, 2023
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ggutierrez-sunbright added a commit that referenced this issue Dec 24, 2023
@ggutierrez-sunbright
Issue #61/migrate sdfield (#62)
a8c7553 
* add fast sd parser

* migrate sdfield

* update pyproject.toml

* tentative update to setup.py
ggutierrez-sunbright added a commit that referenced this issue Feb 3, 2024
@ggutierrez-sunbright
Issue #61/migrate sdfilter (#75)
960ddd0 
* add get_field to FastSDMol

* refactor out common logic

* add sdfilter script to pyproject.toml

* add basic tests for sdfilter

* implement sdfilter
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