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> [!IMPORTANT]
> Please read and comment on this issue if you are a developer or user of RMG - we need lots of input!
The purpose of this issue is to centralize discussion around a significant cha…
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## Environment Information
Open Babel version: 3.1.0
Operating system and version: Win11, Python 3.12.4, Autodock4
## Expected Behavior
I am trying to do Covalent Docking with Autodock4, I downl…
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**This is Part 1, I am splitting issues to reduce loading times and avoid github collapsing messages.**
**Browse all threads and find latest one to post to using the [gallery](https://github.com/oc…
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While editing lambdas my vscode extension always opens the output panel and spams these messages. Am I doing something wrong or is this a bug?
The error also contains the entire lambda.
```
Val…
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> [!IMPORTANT]
> Please read and comment on this issue if you are a developer or user of RMG - we need lots of input!
The purpose of this issue is to centralize discussion around a significant cha…
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Dan ss duplicates
PR #1289
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Hi,
I compiled Autodock-GPU with :
`make DEVICE=GPU NUMWI=128`
When I run the example:
`./bin/autodock_gpu_64wi --ffile ./input/1stp/derived/1stp_protein.maps.fld --lfile ./input/1stp/deriv…
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This is an excellent ontology for chemical compound.
https://jcheminf.springeropen.com/articles/10.1186/s13321-016-0174-y
It can be downloaded as OBO. http://classyfire.wishartlab.com/downloads
C…
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GNN Intro Review
_The following peer review was solicited as part of the Distill review process._
_**The reviewer chose to waive anonymity.** Distill offers reviewers a choice between anon…
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Currently pandoc (2.10.1) still does not support parsing \ce{} command in latex to docx correctly. For example, if I type \ce{CO2} in my tex file and then convert it to docx using pandoc, the resulted…