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### **Description** Transferred from https://github.com/sars-cov-2-variants/lineage-proposals/issues/1594
**Sub-lineage of:** KP.2.3 (= JN.1 + S:∆S31, S:H146Q, S:R346T, F456L, V1104L + ORF3a:K67N + O…
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### Bug summary
[ERROR ] Unable to start gmx_MMPBSA_ana...
### Terminal output
```bash
[INFO ] Starting gmx_MMPBSA v1.6.3
[INFO ] Command-line
gmx_MMPBSA -i mmpbsa.in -cs md_0_300.tpr -ct …
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### Checked other resources
- [X] I added a very descriptive title to this issue.
- [X] I searched the LangChain documentation with the integrated search.
- [X] I used the GitHub search to find a…
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When searching for fusion genes using Arriba with a custom GTF file that extracts only the representative Ensembl ID transcripts, a large number of false positives (mostly transcripts fused at interge…
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Hi, many thanks for making avaible for all datasets and codes.
Since vina is almost widely use docking software, first, I wanted to reproduces all results by myself. Thanks to the benchmark dataset…
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**Describe the bug**
```
[2024-05-04 22:03:31,746 libutil ERROR] 50.00% of output was not generated for this module and tolerance was set to 0.00%.
```
**To Reproduce**
Running with Config belo…
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Hi,
I'm interested in finding matches for a local substructure. To prevent aligning to other domains and partial overlaps, I tried removing everything from the query structure that I'm not interest…
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Hi all,
there are currently some issues with how annotations are stored in cobrapy.
[1] MIRIAM qualifiers are dropped
RDF annotations are triples of the form (subject - predicate - object), with…
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* **PTHR ID & PTN node:**
GO:0044233 | mitochondria-associated endoplasmic reticulum membrane | IBA with MGI:1277186 , PTN000315667 | GO_REF:0000033 | 8
* **Sequences with problematic annotation…
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Dear developers,
I am running the latest build of ICARUS on a HPC system (lsb_release:core-4.1-amd64:core-4.1-noarch) installed under a dedicated conda (23.9.0) environment (full config attached) a…