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**Steps to Reproduce**
1. Toggle to Macro - Sequence mode
2. Load from clipboard way following FASTA:
```
>Sequence1
XBJZ
```
**Actual behavior**
System loads peptides as mixtures
![image]…
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Hi Ming @mwang87 !
I, @lfnothias, and @hoseinmohimani have several requests & suggestions about updating [In Silico Tools](https://gnps.ucsd.edu/ProteoSAFe/static/gnps-theoretical.jsp) webpage. Some …
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### Description of the bug
First, to get the pipeline to not segfault on comet.exe, I had to update `'biocontainers/openms-thirdparty:3.1.0--h9ee0642_1'` to `biocontainers/openms-thirdparty:3.2.0--h9…
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I'd like to use e3fp fingerprints on a very large database of molecules (~millions, possibly billions).
I was wondering if you had any benchmarks on speed and conformer/fingerprint storage sizes. …
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I use precomputed msas (--use_precomputed_msas) for my work and af2 currently spends most of its time performing HHSearch and HHblits, even though I know it won't find anything.
Is there any flag to …
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Version: interproscan-5.70-102.0
When we use the `-dp` flag we see lots of MobiDB matches, but without `-dp` they are missing from the JSON output. Is there any way to include those results when u…
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Hi all,
I'm having a similar proplem to that deatiled in this [thread ](https://github.com/Nesvilab/FragPipe/issues/152) so I thought I'd open up a new issue. I double-checked and I didn't have an…
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When we left off the scatter plot work last year, we had hardcoded data:
```
y1 = [0, 18, 23, 20, 0, 15, 0, 19, 0, 0, 0, 14, 18, 0, 16, 0, 15, 0, 17, 0, 0, 0, 0, 0, 0]
y2 = [0, 0, 0, 0, 0…
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It would be helpful to include more metadata describing the construction of our datasets.
Our input directories contain helpful blocks like this:
```
### General Information
- Date: 2019-07-21…