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Adding GGNN model and graph deep learning tutorial - #14

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martinpycha wants to merge 1 commit into
CDDLeiden:mainfrom
martinpycha:add-graph-dl
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Adding GGNN model and graph deep learning tutorial#14
martinpycha wants to merge 1 commit into
CDDLeiden:mainfrom
martinpycha:add-graph-dl

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This PR adds:

  • New GDNN model in qsprpred/extra/gpu/models/
  • Tutorial notebook for graph deep learning
  • Environment file gnn_project_env.yml

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