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### Model Name
Predict micro-pKa of organic molecules
### Model Description
QupKake is an innovative approach that combines graph neural network (GNN) models with semiempirical quantum mechanical (…
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## 🚀 Feature
GNN Explainer support in `MessagePassing` class for `SparseTensor` adjacency matrix.
## Motivation
`SparseTensor`-based aggregation is more memory-efficient and designing …
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thank you
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When I retrain the model without the Pre training model,this error occurred ! I want to know how to solve it, can you give me some advice. Looking forward to your reply.
Traceback (most recent call…
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Hello!
In the paper, the "Temporal GNN Layer" adds the audio information processed by GNN and the audio-visual information processed by GAT. However, in the code provided, I did not find th…
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Hello, I read your paper and I think it is a very good `GNN interpretable` work. I think it might inspire me, so I would like to study the details of your code implementation, unfortunately I didn't f…
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![gnn_data](https://user-images.githubusercontent.com/40655873/174758447-2d953db1-4f0b-4a6e-8dfb-0cfc9831fe45.jpg)
![gnn_graphs](https://user-images.githubusercontent.com/40655873/174758458-e94a4c59-…
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> [ONNXRuntimeError] : 6 : RUNTIME_EXCEPTION : Non-zero status code returned while running ScatterElements node. Name:'_inlfunc__aten_scatter_reduce_onnx_n2' Status Message: CPU execution provider: ML…
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My code is quite similar to some GNN structure : [NN_output = graph.forward(NN_input, types="f")](https://gist.github.com/buttercutter/b6f526c56e20f029d68e6f9041c3f5c0/3d1a3e6844680545fb8b75225267ea62…
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I have recently reinstalled pytorch_geometric and pytorch_sparse.
After installing version 2.4.0, I get the following warning when I import pytorch_geometric
```
/path/to/.conda/envs/gnn/lib/pyt…