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Hi!
I am so happy to find this tool.
Here is a simple question:
I test espaloma_charge + antechamber on a small molecule but found charges were 0 for all hydrogens.
As a comparison, using antecham…
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Hi,
I use msconvert as a part of the OpenMS package and noticed that when I use --simAsSpectra and/or --srmAsSpectra options for command line tool, spectra output are different than the ones that m…
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# Handle
loop
# Vulnerability details
In a couple of instances a boolean (return) value is compared to `false`. Consider using the `!` operator instead.
## Impact
Unnecessary comparison to a bo…
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This will permit us to create reproducible OT table build structure at a given git commit. At the moment, build time is used to define the timestamp in the compiled font and by definition creates a t…
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The scope of the task is to detect some patterns within each class of the dataset, trying to work on the explainability of the models that will be later developed. Approaches:
- class imbalance probl…
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## Description of the enhancement requested
Hi,
VS Code offers a standard function for comparing two text files, so as far as we are concerned two program source files.
This is a basic line-to-…
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When looking for memory leaks by using Chrome heap snapshot comparison, scenery shows a pretty clean delta when nothing is happening in the simulation. However, in CCK Basics when I create a wire nod…
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### Go version
go version 1.23.0 linux/arm64
### Output of `go env` in your module/workspace:
```shell
I'm unable to provide the output of `go env` as it fails with the same telemetry fork/exec err…
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I think we can build another tool that takes autocannon json and produces an html page, possibly with comparisons with a previous run. We may want to add some metadata to the CLI to add a name to the …
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**Describe the bug**
Markdown dialog is not fully visible on smaller screen and cannot be scrolled
**To Reproduce**
Steps to reproduce the behavior:
1. Edit an entry with FlexFields editor & mar…