Merge pull request #287 from volkamerlab/pk-034-gnns

[DL Edition] T034: GNN based molecular property prediction
volkamerlab · Apr 11, 2023 · f7542d6 · f7542d6
2 parents 005d32a + d3a3dfb
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diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/GCN_best-model-parameters.pt b/teachopencadd/talktorials/T034_gnn_property_prediction/GCN_best-model-parameters.pt
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/GIN_best-model-parameters.pt b/teachopencadd/talktorials/T034_gnn_property_prediction/GIN_best-model-parameters.pt
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/images/batching-ex.png b/teachopencadd/talktorials/T034_gnn_property_prediction/images/batching-ex.png
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/images/gin_graphs.jpeg b/teachopencadd/talktorials/T034_gnn_property_prediction/images/gin_graphs.jpeg
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/images/gnn_overview.png b/teachopencadd/talktorials/T034_gnn_property_prediction/images/gnn_overview.png
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/images/graph.jpeg b/teachopencadd/talktorials/T034_gnn_property_prediction/images/graph.jpeg
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/images/output_val.png b/teachopencadd/talktorials/T034_gnn_property_prediction/images/output_val.png
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/images/simple-graph.png b/teachopencadd/talktorials/T034_gnn_property_prediction/images/simple-graph.png
diff --git a/teachopencadd/talktorials/T034_gnn_property_prediction/talktorial.ipynb b/teachopencadd/talktorials/T034_gnn_property_prediction/talktorial.ipynb