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Add example data for protein-ligand complexes use case #552

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

Add example data for protein-ligand complexes use case #552

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)
    • Asked few samples
    • 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 estimating binding affinity
    • Brainstorm with Cunliang about how to use this for BA prediction, then maybe ask A. Bonvin more info
  • paper 1
  • paper 2
@gcroci2 gcroci2 added blocked disc Discussion needed, to better define the task/s needs info more information is needed labels Jan 15, 2024
@gcroci2 gcroci2 added this to the M1.4: Tutorials&Datasets milestone Jan 15, 2024
@gcroci2 gcroci2 removed the blocked label 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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Labels
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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