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I would like to fit with GAP the PES of molecules using SOAP. As a test, I am using a glycine molecule (500 training points).
So far, I get high Mean Absolute Errors on the training set (the errors a…
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PTN000897489 adds "contributes_to sodium:potassium-exchanging ATPase activity (GO:0005391)" to members of the SODIUM/POTASSIUM-DEPENDENT ATPASE BETA SUBUNIT (PTHR11523) family.
But these members al…
sjm41 updated
3 years ago
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Hi Dear HyPhy Team,
I’d like to use YangNielsenBranchSite2005.bf testing for positive selection in a large set of genes. When I launched YangNielsenBranchSite2005.bf in the command-line, I got a se…
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TL;DR: what are a few priority areas for CPython development where one full-time person or a few part-time people, working for one year, could make a big difference? Let's decide by July 7th and apply…
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**Summary:**
In the details of a self uploaded image, the toolbar contains option to bookmark the image. For self uploaded images the button does not marks the image as bookmark
**Steps to repr…
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Revisit and rework conversion rules or shex schema to bring them into alignment. Close when everything passes. Re-open individual tickets for future failures.
- [x] Implement re-usable software…
goodb updated
4 years ago
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Currently, glutathione is present as a metabolite needed in the biomass reaction. I cannot find any experimental indication as to why this was initially added.
A problem we currently have is that we …
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At GOC 2019b in Berkeley, we briefly discussed providing these kinds of reactions with either more specific types, e.g. something along the lines of 'protein complex disassembly' for dissociation and,…
goodb updated
4 years ago
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**Submitting author:** @TomKellyGenetics (S. Thomas Kelly)
**Repository:** https://github.com/TomKellyGenetics/graphsim
**Version:** v1.0.0-joss
**Editor:** @majensen
**Reviewer:** @rcannood, @corybru…
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There are many how different ways we can set cutoffs in schnetpack. Say, when we build data, we can invoke `AtomsData('water_en.db', available_properties=['energy','forces'],
envi…