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

@gcroci2

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@gcroci2
  • 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

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    discDiscussion needed, to better define the task/sneeds infomore information is neededstaleissue not touched from too much time

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