Skip to content

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

Open
@gcroci2

Description

@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

Activity

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Metadata

Metadata

Assignees

No one assigned

    Labels

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

    Type

    No type

    Projects

    • Status

      To do

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions