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PDB and mmCIF files use symmetry operators to reduce the number of atoms which need to be specified. This is used with NCS to reconstruct the asymmetric unit (e.g. in viruses), as well as for specifyi…
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Would it be possible to support other LORA adapters?
For example, I've finetuned llama on alpaca + dolly (https://huggingface.co/couchpotato888/dolpaca_gpt4_13b_1e_adapter/tree/main) but I can't se…
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## Environment Information
Open Babel version: 3.1.0 and python bindings
Operating system and version:
Linux, Ubuntu 18.04
## Expected Behavior
When reversing the indices of a PDB molecul…
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In the discussion for https://github.com/golang/go/issues/45346, [this comment](https://github.com/golang/go/issues/45346#issuecomment-812741029) mentioned the possibility of adding a type switch on p…
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- [ ] [Defining AGI: Exploring Six Key Principles for an Operational Definition](https://arxiv.org/html/2311.02462v2)
# Defining AGI: Exploring Six Key Principles for an Operational Definition
## Sn…
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Hello, I explored al2 with some of the test cases in the paper (Rpoa-Rpoc) with good results. With our own xl data I do not get any crosslinks satisfied (multimer prediction, v2 network, 3 conditions,…
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Connect with [ScPerturb](https://github.com/sanderlab/scPerturb) datasets
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beav --input shivanshi_bakta_annotation/Plant_Pathogen/Pectobacterium_carotovorum/Pectobacterium_carotovorum.fna --output beav23/ --skip_tiger --bakta_arguments '--db $HOME/Shivanshi/shivanshi_bakta_…
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### My Question is...
i have completed the calculation by using the command
gmx_MMPBSA -O -i mmpbsa.in -cs md_0_300.tpr -ct md_0_300_center150-300ns.xtc -ci index.ndx -cg 1 13 -cp topol.top -o LIG…
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Hi chewBBACA team
I'm running into an issue when using the `AlleleCall` option with `chewBBACA v3.3.4`. I have 347 bordetella assemblies and I'm using an external scheme that I have already run `Pr…