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**Have you checked the [list of proposed rules](https://github.com/Benjamin-Lee/deep-rules/issues?q=is%3Aissue+is%3Aopen+label%3Arule) to see if the rule has already been proposed?**
- [x] Yes
…
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Error message:
error: subprocess-exited-with-error
```
× python setup.py egg_info did not run successfully.
│ exit code: 1
╰─> [12 lines of output]
Traceback (most recent call las…
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### 🐛 Describe the bug
I ran a series of speed benchmarks comparing 3 methods of building a `datapipe`. This is a continuation of the conversation from https://github.com/pytorch/data/issues/454#is…
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I'm copying this here from #1117, since it outgrew that list.
## Basics
galaxyproject.eu provides the middle panes for all the *.usegalaxy.eu servers.
Each of the `index-*.md` files in the ro…
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Lightly edited discussion, migrated from slack:
@avirshup:
> [...] we're trying to limit the scope to _3D geometry-based_ computational chemistry. So we'd like this file format to support MD, dockin…
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I've tried - again - to figure out what's going on with the [flaky `from_qcschema` examples](https://github.com/openforcefield/openff-toolkit/actions/runs/5295513312/jobs/9585921631?pr=1646#step:18:82…
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I think there is a problem with supporting CIP stereochemistry definitions (R/S stereocenters, cis/trans double bonds). CIP stereochemistry relies on the ranking of the "priority" of connected substit…
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## Paste the link of the GitHub organisation below and submit
https://github.com/NVIDIA
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I have 3 installations of Open Babel I am testing with:
(1) Installed on Mac OS X 10.10.1, using v2.3.1 installer from downloads page
(2) Installed on Mac OS X 10.10.1, building from git repositor…
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When I run `attachment::att_amend_desc()` , it now removes the lines corresponding to Bioconductor packages in the Remotes field.
Before running it:
```
Remotes:
bioc::frma,
bioc::gcrma…