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Add example data for antibody-antigen docking models use case #553

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gcroci2 opened this issue Jan 15, 2024 · 1 comment
Open

Add example data for antibody-antigen docking models use case #553

gcroci2 opened this issue Jan 15, 2024 · 1 comment
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disc Discussion needed, to better define the task/s needs info more information is needed stale issue not touched from too much time

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@gcroci2
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gcroci2 commented Jan 15, 2024

  • Ask A. Bonvin for data (or at least samples of them)
    • They are in the process of publishing another study/dataset. They are also working on these systems and plan to generate a larger dataset.
    • Evaluate if the complete dataset, which we don't need yet in this phase, can be used for a future phase of the project, i.e., running a satisfying training for a relevant research question
  • Upload an example dataset somewhere accessible (e.g., Zenodo)
  • For ranking the models
  • https://data.sbgrid.org/dataset/686/
    • Chat with Cunliang
      • They seem to be 2 chains-things. What's the difference with PPIs we have and why we can't support already such complexes?
      • Where are the native structures?
      • Are 16 complexes enough to train a DL model?
      • Brainstorm about the use case
    • What about infrastructure for this?
@gcroci2 gcroci2 added this to the M1.4: Tutorials&Datasets milestone Jan 15, 2024
@gcroci2 gcroci2 added blocked disc Discussion needed, to better define the task/s needs info more information is needed and removed blocked labels Jan 15, 2024
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This issue is stale because it has been open for 30 days with no activity.

@github-actions github-actions bot added the stale issue not touched from too much time label Feb 16, 2024
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disc Discussion needed, to better define the task/s needs info more information is needed stale issue not touched from too much time
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