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Very excited to see BERN2! Really nice work so far.
I'm looking to map certain mentions of proteins to standard identifiers. Here's a list of these proteins, where each protein is also followed by …
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This is part of my crusade against API consumption of `Topology` :stuck_out_tongue:
Would it be crazy to refactor the parts of `from_smirnoff` that apply the force field out into an `parametrize_s…
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Hi @kltm
The 'ultimate' goal is to have all Swiss-Prot (reviewed) entries. The file is in the same GOA ftp, it's called
uniprot_reviewed.gpi.gz
The bacteria and viruses file was to test a sma…
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Hi everyone, I'm just opening this issue to highlight that there are several sequences with an unusual mutation pattern in our most recent upload from South Africa, which will potentially represent tw…
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Opening an issue to plan the integration.
Inviting comment from @leicray @John-F-Wagstaff @ifokkema.
Note. I will be starting this process next week (22nd/23rd March) and will use this issue to…
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Hello, I'm in a team that's trying to use your saguaro-3d app to display papillomavirus protein structures along with some pairwise alignments and other associated data. We found this project when re…
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Hi,
I am having some issues looking through `test_sets_pdb`:
original (undocked) structures are in: `db5_test_random_transform` with ligands (part that moves) being in `random_transformed`, rec…
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Dear Admin,
I got error message in RunUMAP when I run it locally, please help.
"Error in check_graph(graph, n_vertices, n_neighbors) :
ncol(idx) == expected_cols is not TRUE
Calls: RunUMAP…
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Hi Sebastian,
Is it possible to implement another significant cutoff other than the ones available? It is called Xiao correction. Here is the link to the paper.
https://www.ncbi.nlm.nih.gov/pmc/ar…
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**Submitting author:** @Xia-Yijie (义杰 夏)
**Repository:** https://github.com/Xia-Yijie/Xponge
**Branch with paper.md** (empty if default branch):
**Version:** v1.2.6.8
**Editor:** @richardjgowers
**Re…