Clement Vignac

I am not sure at it will help you, but here is what worked for me : `let options = { method: 'POST', url: myurl, headers: { 'header1': myheader}, formData:...

Currently having the same problem, which appeared after a few booting. The error message is : Traceback (most recent call last): File "_ctypes/callbacks.c", line 277, in 'calling callback function' File...

Copying the answer from https://github.com/cvignac/DiGress/issues/47 your observation is correct. It’s not exactly the standard attention mechanism. I’ve not thoroughly compared the two, but current code was written on purpose. The...

Hello, did you run `pip install -e .` in the root folder? You can try to import rdkit at the first line of main.py, sometimes it works. Apart from that,...

500Gb should be more than enough. The segmentation fault refers to a memory access issue, but it does not necessarily mean that not enough memory is available. Make sure that...

The reason is that, as you mentioned, we need to take the gradient of the regressor with respect ot the noisy graph. We cannot differentiate through the extra features, so...

Hello, can you make sure that you reprocessed the dataset, as specified in the README of the branch? Thank you > On 27 Sep 2023, at 04:07, yikang613 ***@***.***> wrote:...

Hi, EMA was not used in our final experiments because it did not really help. The last version of lightning was incompatible with our code for EMA, so we just...

For what dataset do you want to know the runtime?

It's very approximate, but it's in the order of 6h for QM9, 2 days for planar, and one week for sbm, guacamol and moses. I'm not sure that all models...