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Hi, I've been lurking and following along with the v2 refactor and recently saw #457 and #470 which sparked some interest. I didn't think changes to the graph data structure was going to be in scope f…
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Hi, I have some questions about how to reproduce the results. For the bace, the bbbp, the sider, and the hiv, how can I set the hyper-parameter like random seed(five times), dropout ratio, learning ra…
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Is it possible to run the GGSNN-GMN model on Dataset-2 ( or others) in test mode? Specifically, is it designed to run on a dataset it was not trained on?
The `config.py` seems to be missing the `[…
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Hello, just to let you know that when running `molecule-generation train` following the `Readme.md`, with the default conda environment, on Ubuntu 22.04.2 with a RTX A4000 fails by not finding libdevi…
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### OpenVINO Version
2023.1.0-12185-9e6b00e51cd-releases/2023/1
### Operating System
Ubuntu 20.04 (LTS)
### Device used for inference
CPU
### Framework
PyTorch
### Model used
Graph Attention …
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# Statement of need
I think the first paragraph could do with a few more relevant citations? For example the following sentences?
* Thus, their function emerges from characteristic conformationa…
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I have dynamic (Nodes are created and deleted over a period of time) and temporal (node features are changing over a time) data. Then, how to create a dataset which are suitable for GNN ? Also, node f…
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I managed to installl some days ago (removing the line package.BUILD)
As there are some new commits, I did a fresh clone of the repo and tried to install it, but get errors.
Additionally, a sim…
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I am trying to finetune the Pre-trained GraphMVP model on some classification tasks. I am not able to find the path or location for the pre-trained weights for GraphMVP. In the shared google drive lin…