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Hello, first of all, thank you very much for making such a valuable research publicly available. I have some questions regarding the application of molecular generation to new proteins:
I used the "s…
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The protein-small molecule complex generated by RFAA has numerous clashes, and even after energy minimization with Schrodinger, there are still many clashes. Does this mean that the resulting structur…
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Hi guys,
when I used lollipopPlot2 to plot figure for BAGE3 gene, I got the following error.
Gene: BAGE3
Error in get_lp_data(maf = m1, geneID = gene, AACol = AACol1, refSeqID = refSeqID, :
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I have monomer MSAs generated for each sequence in a complex, how might I combine them to be used in a multimer structure prediction? I saw https://github.com/sokrypton/ColabFold/issues/601 discusses …
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[ASAP-0015381](https://github.com/StructuralGenomicsConsortium/CNP25-CHIKV-nsP3-Macrodomain/assets/133207721/fca7cc25-1a3e-4edc-8abf-217449838c4c) is One of the ASAP potent inhibitors vis SARS-CoV-2-N…
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## **Is your feature request related to a problem? Please describe.**
I'll start by stating that I'd be happy to make a walkthrough for this use case if I can get it to work, as I think it could be b…
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**Is your feature request related to a problem? Please describe.**
Within existing quantity [Mass](https://github.com/angularsen/UnitsNet/blob/master/Common/UnitDefinitions/Mass.json) there is no uni…
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I followed your method to generate secondary structure sequences for proteins in cafa3 and then performed one-hot encoding on them to create features. However, the prediction performance is not satisf…
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Thanks for your work. However, as I tried to conduct protein structure clustering, the program always returns clusters based on proteins' substructure. I am wondering how can I get the cluster based o…
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Hello.
When running RoseTTAFold-All-Atom using the following input YAML config file, I observed that the inference code returned a `.pdb` file that contains a predicted protein structure with the f…