de-stress
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wells-wood-research
DE-STRESS is a model evaluation pipeline that aims to make protein design more reliable and accessible.
The BUDEFF record does not return any information on fail. It would be nice to return _something_ to the user!
I don't think that this is working at the moment, I'm not sure if the reference set is being used to calculate it.
Currently there is only summary level data that is shown for aggrescan3d but residue level data is captured as well. We could make a plot to show residue number vs...
* [ ] Resolution for big structure * [ ] SS proportion * [ ] Radius of gyration or some shape information * [x] BUDE-FF
One of the most obvious requirements that someone would want to set is to say that a metric must be within a given range relative to a reference set. A...
I think that this would be useful when creating more complex specification, to have some simple specifications that you can combine into more complex specifications.
I imagine that lots of people will test it, or include, structures from the PDB. As all the metrics have been precalculated and cached for these structures, it makes sense...
Check to see that the structure file that was submitted contains valid input for the various programmes. @MichaelJamesStam has started this with the `find_disallowed_monomers` function in `big-structure/src/destress_big_structure/analysis.py`.
The sequence view on Designs/Dynamic does not show non-canonical amino acids. This must be a server side problem as the front end does not determine the sequences, they are returned...
Maybe this is the wrong approach and we should return what type of molecules are in the PDB rather than to exclude everything except protein.
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DE-STRESS is a model evaluation pipeline that aims to make protein design more reliable and accessible.