Adrien B

[Feature] GPU acceleration

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First thanks you Miles Cranmer for creating this amazing lib ^^. My down to earth question is : do you think it is possible to use GPU to accelerate the...

Packaging and pypi ?

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Hello Zongyi ! I like your project / paper / code and I use it in the company I work for (It gives better result that unet, is faster and...

Issue with logs when using torch.compile

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### Bug description I experience a bug with logging when using torch compile. ```bash Traceback (most recent call last): File "/app/data/src_stardust/prediction/training/train_gnn_realdata.py", line 586, in trainer.fit(modele, train_loader, validation_loader, ckpt_path=last_checkpoint) File "/opt/conda/lib/python3.10/site-packages/lightning/pytorch/trainer/trainer.py",...

Question about the architecture (graphTransformer)

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I was looking at your implementation of attention here : https://github.com/cvignac/DiGress/blob/main/src/models/transformer_model.py#L158 I have some question about the code : ```python Q = Q.unsqueeze(2) # (bs, 1, n, n_head, df) K...